                      :-) GROMACS - gmx mdrun, 2021.5 (-:

                            GROMACS is written by:
     Andrey Alekseenko              Emile Apol              Rossen Apostolov     
         Paul Bauer           Herman J.C. Berendsen           Par Bjelkmar       
       Christian Blau           Viacheslav Bolnykh             Kevin Boyd        
     Aldert van Buuren           Rudi van Drunen             Anton Feenstra      
    Gilles Gouaillardet             Alan Gray               Gerrit Groenhof      
       Anca Hamuraru            Vincent Hindriksen          M. Eric Irrgang      
      Aleksei Iupinov           Christoph Junghans             Joe Jordan        
    Dimitrios Karkoulis            Peter Kasson                Jiri Kraus        
      Carsten Kutzner              Per Larsson              Justin A. Lemkul     
       Viveca Lindahl            Magnus Lundborg             Erik Marklund       
        Pascal Merz             Pieter Meulenhoff            Teemu Murtola       
        Szilard Pall               Sander Pronk              Roland Schulz       
       Michael Shirts            Alexey Shvetsov             Alfons Sijbers      
       Peter Tieleman              Jon Vincent              Teemu Virolainen     
     Christian Wennberg            Maarten Wolf              Artem Zhmurov       
                           and the project leaders:
        Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel

Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.

GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.

GROMACS:      gmx mdrun, version 2021.5
Executable:   /usr/local/gromacs/bin/gmx
Data prefix:  /usr/local/gromacs
Working dir:  /media/romi/My Passport/2r29-500ns/311k
Process ID:   267318
Command line:
  gmx mdrun -deffnm md_1_20 -cpi md_0_10.cpt -noappend -v

GROMACS version:    2021.5
Precision:          mixed
Memory model:       64 bit
MPI library:        thread_mpi
OpenMP support:     enabled (GMX_OPENMP_MAX_THREADS = 64)
GPU support:        CUDA
SIMD instructions:  AVX2_256
FFT library:        fftw-3.3.8-sse2-avx-avx2-avx2_128
RDTSCP usage:       enabled
TNG support:        enabled
Hwloc support:      disabled
Tracing support:    disabled
C compiler:         /usr/bin/cc GNU 9.4.0
C compiler flags:   -mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -pthread -O3 -DNDEBUG
C++ compiler:       /usr/bin/c++ GNU 9.4.0
C++ compiler flags: -mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -pthread -fopenmp -O3 -DNDEBUG
CUDA compiler:      /usr/local/cuda/bin/nvcc nvcc: NVIDIA (R) Cuda compiler driver;Copyright (c) 2005-2020 NVIDIA Corporation;Built on Mon_Nov_30_19:08:53_PST_2020;Cuda compilation tools, release 11.2, V11.2.67;Build cuda_11.2.r11.2/compiler.29373293_0
CUDA compiler flags:-std=c++17;-gencode;arch=compute_35,code=sm_35;-gencode;arch=compute_37,code=sm_37;-gencode;arch=compute_50,code=sm_50;-gencode;arch=compute_52,code=sm_52;-gencode;arch=compute_60,code=sm_60;-gencode;arch=compute_61,code=sm_61;-gencode;arch=compute_70,code=sm_70;-gencode;arch=compute_75,code=sm_75;-gencode;arch=compute_80,code=sm_80;-Wno-deprecated-gpu-targets;-gencode;arch=compute_86,code=sm_86;-gencode;arch=compute_35,code=compute_35;-gencode;arch=compute_53,code=compute_53;-gencode;arch=compute_80,code=compute_80;-use_fast_math;-D_FORCE_INLINES;-mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -pthread -fopenmp -O3 -DNDEBUG
CUDA driver:        11.40
CUDA runtime:       11.20


Running on 1 node with total 20 cores, 20 logical cores, 1 compatible GPU
Hardware detected:
  CPU info:
    Vendor: Intel
    Brand:  12th Gen Intel(R) Core(TM) i7-12700K
    Family: 6   Model: 151   Stepping: 2
    Features: aes apic avx avx2 clfsh cmov cx8 cx16 f16c fma htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdrnd rdtscp sha sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic
  Hardware topology: Only logical processor count
  GPU info:
    Number of GPUs detected: 1
    #0: NVIDIA NVIDIA GeForce RTX 3070 Ti, compute cap.: 8.6, ECC:  no, stat: compatible


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
M. J. Abraham, T. Murtola, R. Schulz, S. Páll, J. C. Smith, B. Hess, E.
Lindahl
GROMACS: High performance molecular simulations through multi-level
parallelism from laptops to supercomputers
SoftwareX 1 (2015) pp. 19-25
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
S. Páll, M. J. Abraham, C. Kutzner, B. Hess, E. Lindahl
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with
GROMACS
In S. Markidis & E. Laure (Eds.), Solving Software Challenges for Exascale 8759 (2015) pp. 3-27
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
S. Pronk, S. Páll, R. Schulz, P. Larsson, P. Bjelkmar, R. Apostolov, M. R.
Shirts, J. C. Smith, P. M. Kasson, D. van der Spoel, B. Hess, and E. Lindahl
GROMACS 4.5: a high-throughput and highly parallel open source molecular
simulation toolkit
Bioinformatics 29 (2013) pp. 845-54
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
B. Hess and C. Kutzner and D. van der Spoel and E. Lindahl
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable
molecular simulation
J. Chem. Theory Comput. 4 (2008) pp. 435-447
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
D. van der Spoel, E. Lindahl, B. Hess, G. Groenhof, A. E. Mark and H. J. C.
Berendsen
GROMACS: Fast, Flexible and Free
J. Comp. Chem. 26 (2005) pp. 1701-1719
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
E. Lindahl and B. Hess and D. van der Spoel
GROMACS 3.0: A package for molecular simulation and trajectory analysis
J. Mol. Mod. 7 (2001) pp. 306-317
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
H. J. C. Berendsen, D. van der Spoel and R. van Drunen
GROMACS: A message-passing parallel molecular dynamics implementation
Comp. Phys. Comm. 91 (1995) pp. 43-56
-------- -------- --- Thank You --- -------- --------


++++ PLEASE CITE THE DOI FOR THIS VERSION OF GROMACS ++++
https://doi.org/10.5281/zenodo.5850051
-------- -------- --- Thank You --- -------- --------

Input Parameters:
   integrator                     = md
   tinit                          = 0
   dt                             = 0.002
   nsteps                         = 250050000
   init-step                      = 0
   simulation-part                = 1
   mts                            = false
   comm-mode                      = Linear
   nstcomm                        = 100
   bd-fric                        = 0
   ld-seed                        = -1073813833
   emtol                          = 10
   emstep                         = 0.01
   niter                          = 20
   fcstep                         = 0
   nstcgsteep                     = 1000
   nbfgscorr                      = 10
   rtpi                           = 0.05
   nstxout                        = 0
   nstvout                        = 0
   nstfout                        = 0
   nstlog                         = 5000
   nstcalcenergy                  = 100
   nstenergy                      = 5000
   nstxout-compressed             = 5000
   compressed-x-precision         = 1000
   cutoff-scheme                  = Verlet
   nstlist                        = 10
   pbc                            = xyz
   periodic-molecules             = false
   verlet-buffer-tolerance        = 0.005
   rlist                          = 1
   coulombtype                    = PME
   coulomb-modifier               = Potential-shift
   rcoulomb-switch                = 0
   rcoulomb                       = 1
   epsilon-r                      = 1
   epsilon-rf                     = inf
   vdw-type                       = Cut-off
   vdw-modifier                   = Potential-shift
   rvdw-switch                    = 0
   rvdw                           = 1
   DispCorr                       = EnerPres
   table-extension                = 1
   fourierspacing                 = 0.16
   fourier-nx                     = 80
   fourier-ny                     = 80
   fourier-nz                     = 80
   pme-order                      = 4
   ewald-rtol                     = 1e-05
   ewald-rtol-lj                  = 0.001
   lj-pme-comb-rule               = Geometric
   ewald-geometry                 = 0
   epsilon-surface                = 0
   tcoupl                         = V-rescale
   nsttcouple                     = 10
   nh-chain-length                = 0
   print-nose-hoover-chain-variables = false
   pcoupl                         = Parrinello-Rahman
   pcoupltype                     = Isotropic
   nstpcouple                     = 10
   tau-p                          = 2
   compressibility (3x3):
      compressibility[    0]={ 4.50000e-05,  0.00000e+00,  0.00000e+00}
      compressibility[    1]={ 0.00000e+00,  4.50000e-05,  0.00000e+00}
      compressibility[    2]={ 0.00000e+00,  0.00000e+00,  4.50000e-05}
   ref-p (3x3):
      ref-p[    0]={ 1.00000e+00,  0.00000e+00,  0.00000e+00}
      ref-p[    1]={ 0.00000e+00,  1.00000e+00,  0.00000e+00}
      ref-p[    2]={ 0.00000e+00,  0.00000e+00,  1.00000e+00}
   refcoord-scaling               = No
   posres-com (3):
      posres-com[0]= 0.00000e+00
      posres-com[1]= 0.00000e+00
      posres-com[2]= 0.00000e+00
   posres-comB (3):
      posres-comB[0]= 0.00000e+00
      posres-comB[1]= 0.00000e+00
      posres-comB[2]= 0.00000e+00
   QMMM                           = false
qm-opts:
   ngQM                           = 0
   constraint-algorithm           = Lincs
   continuation                   = true
   Shake-SOR                      = false
   shake-tol                      = 0.0001
   lincs-order                    = 4
   lincs-iter                     = 1
   lincs-warnangle                = 30
   nwall                          = 0
   wall-type                      = 9-3
   wall-r-linpot                  = -1
   wall-atomtype[0]               = -1
   wall-atomtype[1]               = -1
   wall-density[0]                = 0
   wall-density[1]                = 0
   wall-ewald-zfac                = 3
   pull                           = false
   awh                            = false
   rotation                       = false
   interactiveMD                  = false
   disre                          = No
   disre-weighting                = Conservative
   disre-mixed                    = false
   dr-fc                          = 1000
   dr-tau                         = 0
   nstdisreout                    = 100
   orire-fc                       = 0
   orire-tau                      = 0
   nstorireout                    = 100
   free-energy                    = no
   cos-acceleration               = 0
   deform (3x3):
      deform[    0]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
      deform[    1]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
      deform[    2]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   simulated-tempering            = false
   swapcoords                     = no
   userint1                       = 0
   userint2                       = 0
   userint3                       = 0
   userint4                       = 0
   userreal1                      = 0
   userreal2                      = 0
   userreal3                      = 0
   userreal4                      = 0
   applied-forces:
     electric-field:
       x:
         E0                       = 0
         omega                    = 0
         t0                       = 0
         sigma                    = 0
       y:
         E0                       = 0
         omega                    = 0
         t0                       = 0
         sigma                    = 0
       z:
         E0                       = 0
         omega                    = 0
         t0                       = 0
         sigma                    = 0
     density-guided-simulation:
       active                     = false
       group                      = protein
       similarity-measure         = inner-product
       atom-spreading-weight      = unity
       force-constant             = 1e+09
       gaussian-transform-spreading-width = 0.2
       gaussian-transform-spreading-range-in-multiples-of-width = 4
       reference-density-filename = reference.mrc
       nst                        = 1
       normalize-densities        = true
       adaptive-force-scaling     = false
       adaptive-force-scaling-time-constant = 4
       shift-vector               = 
       transformation-matrix      = 
grpopts:
   nrdf:     19735.8      248292
   ref-t:         311         311
   tau-t:         0.1         0.1
annealing:          No          No
annealing-npoints:           0           0
   acc:	           0           0           0
   nfreeze:           N           N           N
   energygrp-flags[  0]: 0


Reading checkpoint file md_0_10.cpt
  file generated by:     /usr/local/gromacs/bin/gmx
  file generated at:     Fri Dec  1 16:40:00 2023

  GROMACS double prec.:  0
  simulation part #:     1
  step:                  220262900
  time:                  440525.800000

Changing nstlist from 10 to 100, rlist from 1 to 1.164

1 GPU selected for this run.
Mapping of GPU IDs to the 2 GPU tasks in the 1 rank on this node:
  PP:0,PME:0
PP tasks will do (non-perturbed) short-ranged interactions on the GPU
PP task will update and constrain coordinates on the CPU
PME tasks will do all aspects on the GPU
Using 1 MPI thread
Using 20 OpenMP threads 

Pinning threads with an auto-selected logical core stride of 1
System total charge: 0.000
Will do PME sum in reciprocal space for electrostatic interactions.

++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee and L. G. Pedersen 
A smooth particle mesh Ewald method
J. Chem. Phys. 103 (1995) pp. 8577-8592
-------- -------- --- Thank You --- -------- --------

Using a Gaussian width (1/beta) of 0.320163 nm for Ewald
Potential shift: LJ r^-12: -1.000e+00 r^-6: -1.000e+00, Ewald -1.000e-05
Initialized non-bonded Ewald tables, spacing: 9.33e-04 size: 1073

Generated table with 1082 data points for 1-4 COUL.
Tabscale = 500 points/nm
Generated table with 1082 data points for 1-4 LJ6.
Tabscale = 500 points/nm
Generated table with 1082 data points for 1-4 LJ12.
Tabscale = 500 points/nm
Long Range LJ corr.: <C6> 3.1776e-04


Using GPU 8x8 nonbonded short-range kernels

Using a dual 8x8 pair-list setup updated with dynamic, rolling pruning:
  outer list: updated every 100 steps, buffer 0.164 nm, rlist 1.164 nm
  inner list: updated every  10 steps, buffer 0.001 nm, rlist 1.001 nm
At tolerance 0.005 kJ/mol/ps per atom, equivalent classical 1x1 list would be:
  outer list: updated every 100 steps, buffer 0.318 nm, rlist 1.318 nm
  inner list: updated every  10 steps, buffer 0.043 nm, rlist 1.043 nm

Using Lorentz-Berthelot Lennard-Jones combination rule

Initializing LINear Constraint Solver

++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
B. Hess and H. Bekker and H. J. C. Berendsen and J. G. E. M. Fraaije
LINCS: A Linear Constraint Solver for molecular simulations
J. Comp. Chem. 18 (1997) pp. 1463-1472
-------- -------- --- Thank You --- -------- --------

The number of constraints is 3898

++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
S. Miyamoto and P. A. Kollman
SETTLE: An Analytical Version of the SHAKE and RATTLE Algorithms for Rigid
Water Models
J. Comp. Chem. 13 (1992) pp. 952-962
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
G. Bussi, D. Donadio and M. Parrinello
Canonical sampling through velocity rescaling
J. Chem. Phys. 126 (2007) pp. 014101
-------- -------- --- Thank You --- -------- --------

There are: 132025 Atoms
Center of mass motion removal mode is Linear
We have the following groups for center of mass motion removal:
  0:  rest

Started mdrun on rank 0 Fri Dec  1 18:08:07 2023

           Step           Time
      220265000   440530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72936e+03    1.85257e+04    1.23374e+04    1.07754e+03   -2.96111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32672e+03    1.04028e+05    2.81210e+05   -1.71380e+04   -2.15693e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22531e+04   -1.73555e+06    3.47366e+05   -1.38818e+06   -8.32546e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11747e+02   -2.10730e+02   -1.08329e+02    3.46831e-06

step 220266700: timed with pme grid 80 80 80, coulomb cutoff 1.000: 448.0 M-cycles
step 220266900: timed with pme grid 64 64 64, coulomb cutoff 1.210: 553.0 M-cycles
step 220267100: timed with pme grid 72 72 72, coulomb cutoff 1.076: 518.1 M-cycles
step 220267300: timed with pme grid 80 80 80, coulomb cutoff 1.000: 456.7 M-cycles
              optimal pme grid 80 80 80, coulomb cutoff 1.000
           Step           Time
      220270000   440540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39237e+03    1.80599e+04    1.23641e+04    1.08060e+03   -2.93920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42539e+03    1.04342e+05    2.80178e+05   -1.71615e+04   -2.15547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21365e+04   -1.73559e+06    3.45042e+05   -1.39055e+06   -8.31601e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09662e+02   -2.11308e+02   -7.23566e+01    3.55452e-06

           Step           Time
      220275000   440550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61088e+03    1.81441e+04    1.24657e+04    1.08514e+03   -2.79776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48299e+03    1.03975e+05    2.80501e+05   -1.71980e+04   -2.15259e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20765e+04   -1.73224e+06    3.45783e+05   -1.38646e+06   -8.31191e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10327e+02   -2.12205e+02    1.07943e+02    3.67981e-06

           Step           Time
      220280000   440560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51034e+03    1.82594e+04    1.24949e+04    1.07295e+03   -2.95026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37517e+03    1.03907e+05    2.82961e+05   -1.71859e+04   -2.15763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20007e+04   -1.73518e+06    3.45561e+05   -1.38962e+06   -8.31161e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10128e+02   -2.11909e+02    4.00845e+01    3.56143e-06

           Step           Time
      220285000   440570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44087e+03    1.79482e+04    1.23331e+04    1.09484e+03   -2.87755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49627e+03    1.04075e+05    2.80156e+05   -1.71538e+04   -2.15572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20094e+04   -1.73620e+06    3.44294e+05   -1.39191e+06   -8.31026e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08991e+02   -2.11118e+02   -7.22840e+01    3.39912e-06

           Step           Time
      220290000   440580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62378e+03    1.81469e+04    1.23093e+04    1.06601e+03   -2.91570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56997e+03    1.04054e+05    2.79998e+05   -1.71671e+04   -2.15401e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19857e+04   -1.73434e+06    3.47539e+05   -1.38680e+06   -8.30540e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11903e+02   -2.11444e+02    9.98268e+00    3.56099e-06

           Step           Time
      220295000   440590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41475e+03    1.79145e+04    1.23672e+04    1.13832e+03   -2.81103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52924e+03    1.03992e+05    2.80412e+05   -1.72108e+04   -2.15340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18703e+04   -1.73379e+06    3.46755e+05   -1.38703e+06   -8.30502e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11199e+02   -2.12522e+02    4.14747e+01    3.62669e-06

           Step           Time
      220300000   440600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72909e+03    1.84997e+04    1.24016e+04    1.06140e+03   -2.92877e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43513e+03    1.03929e+05    2.81402e+05   -1.71739e+04   -2.15685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20331e+04   -1.73547e+06    3.47294e+05   -1.38817e+06   -8.29791e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11683e+02   -2.11612e+02   -7.53511e+01    3.40620e-06

           Step           Time
      220305000   440610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57242e+03    1.81688e+04    1.23288e+04    1.07711e+03   -2.92810e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36730e+03    1.04108e+05    2.79150e+05   -1.71814e+04   -2.15312e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19270e+04   -1.73453e+06    3.46153e+05   -1.38837e+06   -8.29919e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10659e+02   -2.11798e+02   -6.80427e+01    3.67341e-06

           Step           Time
      220310000   440620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56018e+03    1.78447e+04    1.25171e+04    1.07103e+03   -2.98429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46256e+03    1.04120e+05    2.82630e+05   -1.72265e+04   -2.15941e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19016e+04   -1.73751e+06    3.45077e+05   -1.39244e+06   -8.29532e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09693e+02   -2.12910e+02    9.78602e+01    3.63729e-06

           Step           Time
      220315000   440630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55460e+03    1.80791e+04    1.24421e+04    1.06631e+03   -2.90782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44683e+03    1.03910e+05    2.81391e+05   -1.71557e+04   -2.15788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21941e+04   -1.73686e+06    3.46838e+05   -1.39003e+06   -8.28958e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11274e+02   -2.11164e+02   -5.84095e+01    3.60635e-06

           Step           Time
      220320000   440640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56895e+03    1.85009e+04    1.25844e+04    1.07512e+03   -3.14529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51096e+03    1.03946e+05    2.81867e+05   -1.72169e+04   -2.15720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18190e+04   -1.73569e+06    3.47066e+05   -1.38862e+06   -8.28624e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11478e+02   -2.12671e+02    4.38165e+01    3.69571e-06

           Step           Time
      220325000   440650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71766e+03    1.88532e+04    1.24649e+04    1.09905e+03   -2.95353e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49087e+03    1.03358e+05    2.76514e+05   -1.71732e+04   -2.14946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20051e+04   -1.73308e+06    3.47328e+05   -1.38575e+06   -8.28099e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11713e+02   -2.11596e+02   -1.28556e+02    3.50667e-06

           Step           Time
      220330000   440660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33150e+03    1.82213e+04    1.25408e+04    1.14636e+03   -2.89438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45898e+03    1.04338e+05    2.81515e+05   -1.71686e+04   -2.15401e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21150e+04   -1.73241e+06    3.47888e+05   -1.38452e+06   -8.28112e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12216e+02   -2.11481e+02    1.07088e+02    3.69954e-06

           Step           Time
      220335000   440670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48453e+03    1.80372e+04    1.24290e+04    1.09356e+03   -2.97272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43696e+03    1.04276e+05    2.82698e+05   -1.71883e+04   -2.15644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19138e+04   -1.73423e+06    3.45877e+05   -1.38836e+06   -8.27774e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10411e+02   -2.11967e+02    9.94206e+01    3.73667e-06

           Step           Time
      220340000   440680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56104e+03    1.80546e+04    1.23719e+04    1.13405e+03   -2.94064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45944e+03    1.04499e+05    2.84197e+05   -1.72387e+04   -2.15932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18907e+04   -1.73533e+06    3.47882e+05   -1.38745e+06   -8.27341e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12210e+02   -2.13211e+02    1.35760e+02    3.55999e-06

           Step           Time
      220345000   440690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36077e+03    1.81154e+04    1.23740e+04    1.10555e+03   -2.96465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45753e+03    1.04676e+05    2.77649e+05   -1.71408e+04   -2.15260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20880e+04   -1.73488e+06    3.46644e+05   -1.38823e+06   -8.27246e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11099e+02   -2.10800e+02   -1.61163e+02    3.55859e-06

           Step           Time
      220350000   440700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59290e+03    1.82891e+04    1.24186e+04    1.11513e+03   -2.94092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46275e+03    1.04269e+05    2.81744e+05   -1.71972e+04   -2.15503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20585e+04   -1.73322e+06    3.46807e+05   -1.38641e+06   -8.26738e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11246e+02   -2.12185e+02    6.53602e+01    3.58371e-06

           Step           Time
      220355000   440710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43186e+03    1.81052e+04    1.24752e+04    1.15675e+03   -2.87438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48668e+03    1.04482e+05    2.81275e+05   -1.72381e+04   -2.15787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20324e+04   -1.73654e+06    3.45639e+05   -1.39090e+06   -8.26491e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10197e+02   -2.13196e+02    5.81758e+01    3.71909e-06

           Step           Time
      220360000   440720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51669e+03    1.81056e+04    1.24599e+04    1.09517e+03   -2.87404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49083e+03    1.03892e+05    2.82056e+05   -1.71959e+04   -2.15803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19443e+04   -1.73654e+06    3.48169e+05   -1.38837e+06   -8.26466e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12468e+02   -2.12155e+02    2.65127e+01    3.85485e-06

           Step           Time
      220365000   440730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33858e+03    1.83153e+04    1.24778e+04    1.08758e+03   -2.93067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38920e+03    1.04163e+05    2.81467e+05   -1.71584e+04   -2.15455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21805e+04   -1.73322e+06    3.46520e+05   -1.38670e+06   -8.25561e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10989e+02   -2.11232e+02    3.75079e+01    3.53522e-06

           Step           Time
      220370000   440740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42469e+03    1.79893e+04    1.24734e+04    1.15216e+03   -2.94761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57002e+03    1.03946e+05    2.82258e+05   -1.71982e+04   -2.15899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20528e+04   -1.73727e+06    3.47865e+05   -1.38940e+06   -8.25531e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12195e+02   -2.12211e+02    5.11587e+01    3.55979e-06

           Step           Time
      220375000   440750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45896e+03    1.82501e+04    1.24552e+04    1.12124e+03   -2.94199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58118e+03    1.03629e+05    2.80007e+05   -1.71730e+04   -2.15233e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21585e+04   -1.73278e+06    3.46877e+05   -1.38591e+06   -8.25070e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11309e+02   -2.11591e+02   -1.69314e+01    3.54478e-06

           Step           Time
      220380000   440760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44969e+03    1.82543e+04    1.22661e+04    1.06907e+03   -2.91671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49455e+03    1.03660e+05    2.80141e+05   -1.72213e+04   -2.15399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20697e+04   -1.73473e+06    3.46002e+05   -1.38872e+06   -8.25192e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10523e+02   -2.12781e+02   -5.10497e+01    3.43869e-06

           Step           Time
      220385000   440770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38675e+03    1.82984e+04    1.23364e+04    1.15620e+03   -2.86871e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44948e+03    1.03984e+05    2.82550e+05   -1.72003e+04   -2.15708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19021e+04   -1.73509e+06    3.46312e+05   -1.38878e+06   -8.24395e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10802e+02   -2.12262e+02    7.02323e+01    3.65455e-06

           Step           Time
      220390000   440780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36146e+03    1.84324e+04    1.23831e+04    1.09132e+03   -2.95625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43139e+03    1.03474e+05    2.82552e+05   -1.71875e+04   -2.15830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20789e+04   -1.73664e+06    3.46419e+05   -1.39022e+06   -8.24251e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10897e+02   -2.11947e+02    6.45218e+01    3.60798e-06

           Step           Time
      220395000   440790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72024e+03    1.84783e+04    1.24222e+04    1.14293e+03   -2.93141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46002e+03    1.03112e+05    2.79710e+05   -1.71503e+04   -2.15262e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19756e+04   -1.73368e+06    3.46958e+05   -1.38672e+06   -8.23981e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11381e+02   -2.11033e+02   -1.05152e+02    3.61026e-06

           Step           Time
      220400000   440800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34405e+03    1.81881e+04    1.22227e+04    1.08721e+03   -2.95870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54089e+03    1.04192e+05    2.82615e+05   -1.72412e+04   -2.15949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18323e+04   -1.73766e+06    3.47095e+05   -1.39057e+06   -8.23735e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11504e+02   -2.13272e+02    1.18135e+02    3.55509e-06

           Step           Time
      220405000   440810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50722e+03    1.84523e+04    1.25860e+04    1.13837e+03   -3.02791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45498e+03    1.03942e+05    2.82180e+05   -1.72013e+04   -2.15634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20328e+04   -1.73428e+06    3.45549e+05   -1.38873e+06   -8.22950e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10117e+02   -2.12287e+02    9.40808e+01    3.65845e-06

           Step           Time
      220410000   440820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64412e+03    1.83229e+04    1.23585e+04    1.09316e+03   -2.97094e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40152e+03    1.03974e+05    2.80170e+05   -1.71997e+04   -2.15518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20143e+04   -1.73537e+06    3.45368e+05   -1.39000e+06   -8.22328e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09954e+02   -2.12247e+02   -4.09871e+01    3.46244e-06

           Step           Time
      220415000   440830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66175e+03    1.79565e+04    1.23013e+04    1.07871e+03   -3.05786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48684e+03    1.03967e+05    2.80072e+05   -1.71961e+04   -2.15411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18977e+04   -1.73494e+06    3.45811e+05   -1.38913e+06   -8.22392e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10352e+02   -2.12159e+02   -4.49555e+01    3.62799e-06

           Step           Time
      220420000   440840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48838e+03    1.84177e+04    1.25007e+04    1.08271e+03   -2.97493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55029e+03    1.03613e+05    2.80066e+05   -1.72028e+04   -2.15577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18239e+04   -1.73640e+06    3.45521e+05   -1.39088e+06   -8.21626e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10092e+02   -2.12324e+02   -3.40366e+01    3.61325e-06

           Step           Time
      220425000   440850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52447e+03    1.82007e+04    1.23733e+04    1.01537e+03   -2.87613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44009e+03    1.04220e+05    2.80007e+05   -1.72052e+04   -2.15402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19350e+04   -1.73438e+06    3.46528e+05   -1.38785e+06   -8.21714e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10995e+02   -2.12383e+02   -1.29022e+01    3.65074e-06

           Step           Time
      220430000   440860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53454e+03    1.82628e+04    1.24621e+04    1.06241e+03   -3.03512e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49857e+03    1.04185e+05    2.80467e+05   -1.72171e+04   -2.15593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19055e+04   -1.73581e+06    3.47667e+05   -1.38814e+06   -8.21324e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12018e+02   -2.12676e+02    5.06440e+00    3.52164e-06

           Step           Time
      220435000   440870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51033e+03    1.85381e+04    1.24520e+04    1.12685e+03   -3.07321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55048e+03    1.03669e+05    2.83668e+05   -1.71710e+04   -2.15713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20941e+04   -1.73376e+06    3.46776e+05   -1.38699e+06   -8.20774e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11218e+02   -2.11541e+02    1.90288e+02    3.66363e-06

           Step           Time
      220440000   440880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59823e+03    1.80981e+04    1.25396e+04    1.00987e+03   -2.91398e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58945e+03    1.04131e+05    2.80473e+05   -1.71709e+04   -2.15694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21663e+04   -1.73642e+06    3.46533e+05   -1.38989e+06   -8.20374e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11000e+02   -2.11539e+02   -3.67814e+01    3.58110e-06

           Step           Time
      220445000   440890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71180e+03    1.81460e+04    1.23856e+04    1.06041e+03   -2.90862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41717e+03    1.03736e+05    2.81761e+05   -1.72431e+04   -2.15869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18054e+04   -1.73782e+06    3.45223e+05   -1.39260e+06   -8.19835e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09824e+02   -2.13320e+02   -4.99676e+00    3.68243e-06

           Step           Time
      220450000   440900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39163e+03    1.79793e+04    1.25983e+04    1.10671e+03   -2.99471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40851e+03    1.04417e+05    2.81194e+05   -1.71456e+04   -2.15530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20155e+04   -1.73433e+06    3.45911e+05   -1.38842e+06   -8.20188e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10441e+02   -2.10916e+02    3.74999e+00    3.59188e-06

           Step           Time
      220455000   440910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42547e+03    1.84324e+04    1.23036e+04    1.04541e+03   -2.97887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47370e+03    1.04084e+05    2.82954e+05   -1.72432e+04   -2.15758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18853e+04   -1.73520e+06    3.46101e+05   -1.38910e+06   -8.19396e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10612e+02   -2.13320e+02    1.24858e+02    3.67517e-06

           Step           Time
      220460000   440920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62598e+03    1.82129e+04    1.23246e+04    1.02475e+03   -2.94395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42083e+03    1.04110e+05    2.80597e+05   -1.72189e+04   -2.15649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20410e+04   -1.73629e+06    3.47541e+05   -1.38875e+06   -8.19335e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11905e+02   -2.12721e+02    3.25619e+01    3.55169e-06

           Step           Time
      220465000   440930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41417e+03    1.83544e+04    1.24162e+04    1.05916e+03   -2.93014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33271e+03    1.03648e+05    2.81739e+05   -1.71662e+04   -2.15415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18828e+04   -1.73340e+06    3.45374e+05   -1.38803e+06   -8.19276e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09959e+02   -2.11424e+02    3.48285e+01    3.61802e-06

           Step           Time
      220470000   440940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54464e+03    1.82260e+04    1.24895e+04    1.10616e+03   -2.93870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41443e+03    1.04428e+05    2.80659e+05   -1.71690e+04   -2.15390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21999e+04   -1.73294e+06    3.45588e+05   -1.38735e+06   -8.18560e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10152e+02   -2.11493e+02   -1.48662e+01    3.38930e-06

           Step           Time
      220475000   440950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35611e+03    1.82480e+04    1.23232e+04    1.13633e+03   -3.01140e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52479e+03    1.04354e+05    2.78443e+05   -1.71638e+04   -2.15453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20999e+04   -1.73622e+06    3.46505e+05   -1.38971e+06   -8.18728e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10975e+02   -2.11365e+02   -9.54683e+01    3.57200e-06

           Step           Time
      220480000   440960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53504e+03    1.79670e+04    1.23840e+04    1.14223e+03   -3.02644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52526e+03    1.04628e+05    2.82062e+05   -1.71590e+04   -2.15806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20545e+04   -1.73595e+06    3.44699e+05   -1.39125e+06   -8.18319e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09354e+02   -2.11246e+02    6.08676e+01    3.37902e-06

           Step           Time
      220485000   440970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60293e+03    1.82578e+04    1.23017e+04    1.09666e+03   -3.03259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50817e+03    1.03710e+05    2.81962e+05   -1.71759e+04   -2.15723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18795e+04   -1.73612e+06    3.47325e+05   -1.38879e+06   -8.18156e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11711e+02   -2.11661e+02    5.11110e+01    3.66797e-06

           Step           Time
      220490000   440980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50274e+03    1.84056e+04    1.23749e+04    1.08288e+03   -2.95130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43343e+03    1.04052e+05    2.81093e+05   -1.72162e+04   -2.15508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19756e+04   -1.73433e+06    3.46669e+05   -1.38766e+06   -8.17804e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11122e+02   -2.12656e+02    4.79049e+01    3.63382e-06

           Step           Time
      220495000   440990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56615e+03    1.81290e+04    1.23775e+04    1.15607e+03   -3.00539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54437e+03    1.03971e+05    2.80669e+05   -1.71614e+04   -2.15391e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20303e+04   -1.73363e+06    3.44274e+05   -1.38936e+06   -8.17021e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08972e+02   -2.11305e+02   -7.38019e+00    3.47706e-06

           Step           Time
      220500000   441000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51834e+03    1.81805e+04    1.26186e+04    1.18368e+03   -3.02508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49615e+03    1.03969e+05    2.80632e+05   -1.71558e+04   -2.15576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21618e+04   -1.73518e+06    3.48479e+05   -1.38670e+06   -8.17251e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12746e+02   -2.11168e+02   -6.27902e+01    3.46804e-06

           Step           Time
      220505000   441010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46003e+03    1.84104e+04    1.24935e+04    1.03697e+03   -3.15210e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45327e+03    1.04236e+05    2.77266e+05   -1.71792e+04   -2.15263e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19748e+04   -1.73563e+06    3.46124e+05   -1.38951e+06   -8.17115e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10633e+02   -2.11742e+02   -9.76649e+01    3.52006e-06

           Step           Time
      220510000   441020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56507e+03    1.81244e+04    1.24509e+04    1.13565e+03   -2.96010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48241e+03    1.04145e+05    2.82209e+05   -1.71651e+04   -2.15494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19839e+04   -1.73297e+06    3.47186e+05   -1.38578e+06   -8.16894e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11586e+02   -2.11397e+02    9.53577e+01    3.51297e-06

           Step           Time
      220515000   441030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36706e+03    1.84397e+04    1.22923e+04    1.08949e+03   -2.93651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49300e+03    1.03682e+05    2.81023e+05   -1.71984e+04   -2.15502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20386e+04   -1.73473e+06    3.47601e+05   -1.38712e+06   -8.16869e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11958e+02   -2.12215e+02    3.69021e+00    3.54645e-06

           Step           Time
      220520000   441040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49496e+03    1.82057e+04    1.24560e+04    1.09368e+03   -3.06529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35434e+03    1.03753e+05    2.81276e+05   -1.71621e+04   -2.15652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20256e+04   -1.73609e+06    3.47269e+05   -1.38882e+06   -8.16989e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11660e+02   -2.11322e+02    3.67584e+00    3.56350e-06

           Step           Time
      220525000   441050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62734e+03    1.80530e+04    1.24438e+04    1.06250e+03   -2.95640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40102e+03    1.04053e+05    2.80882e+05   -1.72283e+04   -2.15483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20757e+04   -1.73442e+06    3.46335e+05   -1.38809e+06   -8.16212e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10822e+02   -2.12953e+02    3.45915e+01    3.38972e-06

           Step           Time
      220530000   441060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48637e+03    1.80154e+04    1.22838e+04    1.08131e+03   -2.83038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48455e+03    1.03697e+05    2.82784e+05   -1.71884e+04   -2.15996e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19141e+04   -1.73823e+06    3.45119e+05   -1.39311e+06   -8.15805e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09731e+02   -2.11969e+02    4.39041e+01    3.32059e-06

           Step           Time
      220535000   441070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52056e+03    1.83828e+04    1.23680e+04    1.05679e+03   -2.86620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55654e+03    1.04316e+05    2.82154e+05   -1.71824e+04   -2.15635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20132e+04   -1.73403e+06    3.46934e+05   -1.38709e+06   -8.15274e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11360e+02   -2.11822e+02    1.04556e+02    3.66709e-06

           Step           Time
      220540000   441080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44452e+03    1.81943e+04    1.23021e+04    1.08393e+03   -2.92455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58281e+03    1.03811e+05    2.82442e+05   -1.72317e+04   -2.15829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18894e+04   -1.73670e+06    3.46611e+05   -1.39009e+06   -8.14831e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11070e+02   -2.13037e+02    1.21243e+02    3.68571e-06

           Step           Time
      220545000   441090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41240e+03    1.82799e+04    1.23553e+04    1.01632e+03   -2.85510e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50919e+03    1.03871e+05    2.80119e+05   -1.72024e+04   -2.15550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19781e+04   -1.73602e+06    3.47337e+05   -1.38868e+06   -8.15041e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11722e+02   -2.12315e+02   -1.64862e+00    3.75252e-06

           Step           Time
      220550000   441100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48181e+03    1.85108e+04    1.22962e+04    1.06589e+03   -2.87929e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46658e+03    1.04029e+05    2.81733e+05   -1.72418e+04   -2.15763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20401e+04   -1.73613e+06    3.48183e+05   -1.38795e+06   -8.14406e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12481e+02   -2.13286e+02    1.20453e+02    3.62558e-06

           Step           Time
      220555000   441110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37740e+03    1.80621e+04    1.23311e+04    1.01090e+03   -2.96989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43003e+03    1.04037e+05    2.82613e+05   -1.72001e+04   -2.15790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17084e+04   -1.73650e+06    3.47823e+05   -1.38868e+06   -8.14698e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12158e+02   -2.12259e+02    6.57952e+01    3.62710e-06

           Step           Time
      220560000   441120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50942e+03    1.81143e+04    1.24027e+04    1.02604e+03   -2.95065e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40638e+03    1.04442e+05    2.81801e+05   -1.72002e+04   -2.15688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19458e+04   -1.73539e+06    3.45387e+05   -1.39000e+06   -8.13814e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09971e+02   -2.12261e+02   -3.36237e+00    3.44118e-06

           Step           Time
      220565000   441130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57790e+03    1.82378e+04    1.24648e+04    1.02149e+03   -2.79612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56127e+03    1.04533e+05    2.80778e+05   -1.71907e+04   -2.15475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18660e+04   -1.73370e+06    3.46446e+05   -1.38725e+06   -8.13916e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10922e+02   -2.12025e+02    2.16337e+01    3.61468e-06

           Step           Time
      220570000   441140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35223e+03    1.82762e+04    1.24217e+04    1.07468e+03   -3.04021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51856e+03    1.04554e+05    2.79282e+05   -1.71861e+04   -2.15530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18499e+04   -1.73620e+06    3.47373e+05   -1.38883e+06   -8.13482e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11754e+02   -2.11913e+02   -7.92091e+01    3.46428e-06

           Step           Time
      220575000   441150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50953e+03    1.82327e+04    1.25920e+04    1.20700e+03   -2.97458e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62322e+03    1.04562e+05    2.81016e+05   -1.72134e+04   -2.15749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19456e+04   -1.73599e+06    3.48314e+05   -1.38768e+06   -8.12980e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12598e+02   -2.12586e+02    9.28721e-01    3.61916e-06

           Step           Time
      220580000   441160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58842e+03    1.82492e+04    1.23371e+04    1.10059e+03   -2.93071e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50338e+03    1.04006e+05    2.81916e+05   -1.72147e+04   -2.15763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19044e+04   -1.73617e+06    3.48066e+05   -1.38811e+06   -8.12811e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12376e+02   -2.12617e+02    1.01893e+02    3.67092e-06

           Step           Time
      220585000   441170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50764e+03    1.84248e+04    1.24756e+04    1.09261e+03   -2.97686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34282e+03    1.04362e+05    2.82386e+05   -1.72167e+04   -2.15737e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19028e+04   -1.73507e+06    3.48238e+05   -1.38683e+06   -8.12591e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12530e+02   -2.12667e+02    1.04723e+02    3.65679e-06

           Step           Time
      220590000   441180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66815e+03    1.81696e+04    1.24837e+04    1.06774e+03   -2.92899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40337e+03    1.04037e+05    2.80484e+05   -1.71985e+04   -2.15484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19981e+04   -1.73465e+06    3.46256e+05   -1.38840e+06   -8.12079e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10751e+02   -2.12217e+02   -3.29045e+01    3.61197e-06

           Step           Time
      220595000   441190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46277e+03    1.84020e+04    1.25059e+04    1.10553e+03   -3.07822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39272e+03    1.04196e+05    2.80151e+05   -1.71921e+04   -2.15510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18812e+04   -1.73528e+06    3.45702e+05   -1.38958e+06   -8.11732e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10254e+02   -2.12060e+02   -4.79660e+01    3.57181e-06

           Step           Time
      220600000   441200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79429e+03    1.85384e+04    1.25156e+04    1.06880e+03   -2.97988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46015e+03    1.03870e+05    2.80011e+05   -1.71781e+04   -2.15259e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19944e+04   -1.73250e+06    3.46878e+05   -1.38562e+06   -8.11269e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11310e+02   -2.11716e+02   -3.70527e+01    3.63968e-06

           Step           Time
      220605000   441210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71166e+03    1.83094e+04    1.24479e+04    1.01263e+03   -2.88061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49250e+03    1.04254e+05    2.79919e+05   -1.71890e+04   -2.15256e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20188e+04   -1.73246e+06    3.45500e+05   -1.38696e+06   -8.11061e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10073e+02   -2.11984e+02    9.50033e+00    3.64179e-06

           Step           Time
      220610000   441220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34961e+03    1.81504e+04    1.24273e+04    1.12161e+03   -3.00297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33481e+03    1.04515e+05    2.81403e+05   -1.71657e+04   -2.15668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21155e+04   -1.73543e+06    3.47246e+05   -1.38819e+06   -8.11174e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11640e+02   -2.11410e+02    4.24186e-01    3.71549e-06

           Step           Time
      220615000   441230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39981e+03    1.78344e+04    1.25329e+04    1.08983e+03   -2.89091e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42234e+03    1.04334e+05    2.79977e+05   -1.71997e+04   -2.15622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19277e+04   -1.73679e+06    3.45733e+05   -1.39106e+06   -8.10994e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10282e+02   -2.12248e+02   -9.35493e+01    3.46843e-06

           Step           Time
      220620000   441240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47479e+03    1.86412e+04    1.23168e+04    1.14791e+03   -2.85515e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50162e+03    1.04465e+05    2.81504e+05   -1.71833e+04   -2.15599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19754e+04   -1.73400e+06    3.47896e+05   -1.38611e+06   -8.10168e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12223e+02   -2.11844e+02    6.89919e+01    3.61508e-06

           Step           Time
      220625000   441250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32528e+03    1.80431e+04    1.23588e+04    1.09905e+03   -2.97173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63263e+03    1.04380e+05    2.78386e+05   -1.71594e+04   -2.15114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19460e+04   -1.73310e+06    3.44365e+05   -1.38873e+06   -8.09936e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09054e+02   -2.11255e+02   -2.86951e+01    3.75911e-06

           Step           Time
      220630000   441260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61820e+03    1.85185e+04    1.25710e+04    1.14211e+03   -3.09656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50332e+03    1.04376e+05    2.79922e+05   -1.71838e+04   -2.15329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20122e+04   -1.73290e+06    3.48853e+05   -1.38405e+06   -8.09826e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13082e+02   -2.11857e+02    3.16201e+01    3.72655e-06

           Step           Time
      220635000   441270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69004e+03    1.79855e+04    1.25408e+04    1.16193e+03   -2.90340e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41511e+03    1.04032e+05    2.81568e+05   -1.72248e+04   -2.15763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18628e+04   -1.73650e+06    3.45842e+05   -1.39066e+06   -8.09435e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10380e+02   -2.12866e+02   -6.52480e+01    3.53281e-06

           Step           Time
      220640000   441280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37826e+03    1.83546e+04    1.25395e+04    1.07509e+03   -2.90846e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48149e+03    1.04417e+05    2.78964e+05   -1.71820e+04   -2.15265e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20063e+04   -1.73353e+06    3.46805e+05   -1.38672e+06   -8.09251e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11244e+02   -2.11812e+02   -2.59810e+01    3.52621e-06

           Step           Time
      220645000   441290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59169e+03    1.83226e+04    1.25039e+04    1.17326e+03   -2.88440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50922e+03    1.04181e+05    2.81518e+05   -1.71961e+04   -2.15576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18684e+04   -1.73418e+06    3.47524e+05   -1.38665e+06   -8.09088e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11890e+02   -2.12160e+02    3.40711e+01    3.62443e-06

           Step           Time
      220650000   441300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50948e+03    1.82791e+04    1.22963e+04    1.07431e+03   -2.99759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60433e+03    1.04184e+05    2.80481e+05   -1.71938e+04   -2.15559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20188e+04   -1.73533e+06    3.47247e+05   -1.38808e+06   -8.08462e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11641e+02   -2.12103e+02    7.92463e+00    3.77712e-06

           Step           Time
      220655000   441310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41485e+03    1.79556e+04    1.22625e+04    1.13073e+03   -2.94200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42508e+03    1.04565e+05    2.80113e+05   -1.71802e+04   -2.15571e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20226e+04   -1.73595e+06    3.46105e+05   -1.38984e+06   -8.08588e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10616e+02   -2.11767e+02   -3.27782e+01    3.51725e-06

           Step           Time
      220660000   441320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42635e+03    1.84989e+04    1.24065e+04    1.03802e+03   -2.87409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44599e+03    1.04090e+05    2.81118e+05   -1.71965e+04   -2.15657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18620e+04   -1.73576e+06    3.47177e+05   -1.38858e+06   -8.07848e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11578e+02   -2.12168e+02   -2.90984e+01    3.64045e-06

           Step           Time
      220665000   441330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63001e+03    1.82804e+04    1.23034e+04    1.04182e+03   -2.92283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39916e+03    1.04482e+05    2.83558e+05   -1.71791e+04   -2.15704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20985e+04   -1.73335e+06    3.46400e+05   -1.38695e+06   -8.08161e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10881e+02   -2.11740e+02    1.24066e+02    3.49998e-06

           Step           Time
      220670000   441340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56078e+03    1.78634e+04    1.24228e+04    1.09118e+03   -2.84694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56594e+03    1.04859e+05    2.80164e+05   -1.71675e+04   -2.15411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19360e+04   -1.73366e+06    3.45721e+05   -1.38794e+06   -8.07765e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10271e+02   -2.11455e+02   -5.14108e+01    3.57530e-06

           Step           Time
      220675000   441350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49228e+03    1.84625e+04    1.24207e+04    1.11320e+03   -2.98485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43521e+03    1.03674e+05    2.80024e+05   -1.72013e+04   -2.15551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21223e+04   -1.73595e+06    3.46578e+05   -1.38937e+06   -8.07606e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11040e+02   -2.12289e+02   -8.52342e+00    3.47855e-06

           Step           Time
      220680000   441360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40615e+03    1.85814e+04    1.24747e+04    1.10623e+03   -2.96282e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53582e+03    1.04097e+05    2.79957e+05   -1.72248e+04   -2.15652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18795e+04   -1.73667e+06    3.44622e+05   -1.39205e+06   -8.07040e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09285e+02   -2.12868e+02    1.82838e+01    3.42949e-06

           Step           Time
      220685000   441370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58998e+03    1.83195e+04    1.24653e+04    1.14832e+03   -2.85962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50289e+03    1.03836e+05    2.81166e+05   -1.71908e+04   -2.15381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19408e+04   -1.73289e+06    3.48267e+05   -1.38463e+06   -8.07225e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12556e+02   -2.12028e+02    5.21163e+01    3.55483e-06

           Step           Time
      220690000   441380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76458e+03    1.81514e+04    1.23849e+04    1.12991e+03   -2.91328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43756e+03    1.04173e+05    2.81463e+05   -1.71718e+04   -2.15365e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20139e+04   -1.73222e+06    3.46186e+05   -1.38603e+06   -8.06892e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10689e+02   -2.11562e+02    7.59455e+01    3.67287e-06

           Step           Time
      220695000   441390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69868e+03    1.84178e+04    1.24900e+04    1.09744e+03   -3.05153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37840e+03    1.03951e+05    2.80294e+05   -1.72161e+04   -2.15680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21025e+04   -1.73664e+06    3.46792e+05   -1.38985e+06   -8.06081e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11232e+02   -2.12653e+02   -1.80339e+01    3.62818e-06

           Step           Time
      220700000   441400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52138e+03    1.80555e+04    1.25285e+04    1.08504e+03   -3.07634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37406e+03    1.04084e+05    2.81592e+05   -1.72036e+04   -2.15883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19632e+04   -1.73791e+06    3.46779e+05   -1.39113e+06   -8.06635e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11221e+02   -2.12344e+02    3.02814e+01    3.47504e-06

           Step           Time
      220705000   441410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43762e+03    1.80474e+04    1.25296e+04    1.03786e+03   -3.01318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49568e+03    1.04365e+05    2.79857e+05   -1.71873e+04   -2.15634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21585e+04   -1.73661e+06    3.46617e+05   -1.38999e+06   -8.06258e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11075e+02   -2.11943e+02   -9.39436e+01    3.54769e-06

           Step           Time
      220710000   441420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48000e+03    1.85493e+04    1.24028e+04    1.07790e+03   -3.08105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45920e+03    1.03608e+05    2.80900e+05   -1.71753e+04   -2.15742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19753e+04   -1.73723e+06    3.47439e+05   -1.38979e+06   -8.05899e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11813e+02   -2.11646e+02   -7.84726e+01    3.61151e-06

           Step           Time
      220715000   441430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41699e+03    1.82188e+04    1.24210e+04    1.08567e+03   -3.03621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58241e+03    1.04557e+05    2.82171e+05   -1.71998e+04   -2.15777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21252e+04   -1.73542e+06    3.45853e+05   -1.38957e+06   -8.05545e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10390e+02   -2.12251e+02    1.00894e+02    3.42774e-06

           Step           Time
      220720000   441440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59457e+03    1.79737e+04    1.24417e+04    1.09581e+03   -2.98471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48560e+03    1.04423e+05    2.79125e+05   -1.72591e+04   -2.15581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18393e+04   -1.73707e+06    3.44940e+05   -1.39213e+06   -8.05200e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09571e+02   -2.13714e+02   -6.70574e+01    3.35973e-06

           Step           Time
      220725000   441450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67576e+03    1.83780e+04    1.24823e+04    1.05499e+03   -2.89560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41249e+03    1.04512e+05    2.79876e+05   -1.71333e+04   -2.15314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21410e+04   -1.73264e+06    3.47966e+05   -1.38467e+06   -8.05162e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12286e+02   -2.10615e+02   -1.04749e+02    3.58602e-06

           Step           Time
      220730000   441460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83927e+03    1.83296e+04    1.24518e+04    1.17082e+03   -3.01900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49717e+03    1.04396e+05    2.80379e+05   -1.71463e+04   -2.15360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20124e+04   -1.73269e+06    3.48284e+05   -1.38441e+06   -8.04254e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12571e+02   -2.10933e+02   -2.12267e+01    3.54417e-06

           Step           Time
      220735000   441470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53884e+03    1.82026e+04    1.23161e+04    1.10296e+03   -3.01032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44204e+03    1.04941e+05    2.83634e+05   -1.72157e+04   -2.16028e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20716e+04   -1.73626e+06    3.47378e+05   -1.38888e+06   -8.04445e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11758e+02   -2.12643e+02    9.47471e+01    3.70578e-06

           Step           Time
      220740000   441480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43834e+03    1.85241e+04    1.23440e+04    1.12935e+03   -2.96414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49792e+03    1.04847e+05    2.82084e+05   -1.71989e+04   -2.15803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19530e+04   -1.73537e+06    3.47387e+05   -1.38798e+06   -8.04021e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11766e+02   -2.12228e+02    5.84033e+01    3.52025e-06

           Step           Time
      220745000   441490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45452e+03    1.80938e+04    1.23701e+04    1.09462e+03   -2.94577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40827e+03    1.04143e+05    2.81147e+05   -1.71902e+04   -2.15784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21560e+04   -1.73711e+06    3.45356e+05   -1.39175e+06   -8.03425e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09944e+02   -2.12013e+02   -6.82114e+01    3.51880e-06

           Step           Time
      220750000   441500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66831e+03    1.81611e+04    1.24866e+04    1.02058e+03   -3.09819e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51400e+03    1.04465e+05    2.82234e+05   -1.72080e+04   -2.15760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21400e+04   -1.73522e+06    3.48054e+05   -1.38716e+06   -8.03120e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12365e+02   -2.12452e+02    7.43006e+01    3.57596e-06

           Step           Time
      220755000   441510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55398e+03    1.82158e+04    1.24844e+04    9.54588e+02   -3.00211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43243e+03    1.04331e+05    2.82221e+05   -1.71981e+04   -2.15685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19074e+04   -1.73495e+06    3.46158e+05   -1.38879e+06   -8.02934e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10663e+02   -2.12208e+02    3.98998e+01    3.68661e-06

           Step           Time
      220760000   441520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54549e+03    1.80847e+04    1.22602e+04    1.10883e+03   -2.93889e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40383e+03    1.04637e+05    2.82009e+05   -1.72304e+04   -2.15881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17958e+04   -1.73714e+06    3.46018e+05   -1.39112e+06   -8.02511e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10537e+02   -2.13006e+02    7.92875e+01    3.56153e-06

           Step           Time
      220765000   441530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46222e+03    1.83176e+04    1.23938e+04    1.04816e+03   -2.90905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47422e+03    1.04634e+05    2.80336e+05   -1.72175e+04   -2.15511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20932e+04   -1.73448e+06    3.46461e+05   -1.38802e+06   -8.02078e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10935e+02   -2.12687e+02    3.99624e+01    3.48615e-06

           Step           Time
      220770000   441540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45651e+03    1.79755e+04    1.24266e+04    1.11511e+03   -2.89923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47557e+03    1.04036e+05    2.81317e+05   -1.71877e+04   -2.15851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19453e+04   -1.73785e+06    3.47010e+05   -1.39084e+06   -8.02409e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11428e+02   -2.11953e+02   -4.37611e+00    3.62782e-06

           Step           Time
      220775000   441550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52646e+03    1.81091e+04    1.24795e+04    1.13311e+03   -2.82906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44289e+03    1.04163e+05    2.81655e+05   -1.72104e+04   -2.15867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19297e+04   -1.73727e+06    3.44232e+05   -1.39303e+06   -8.01409e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08935e+02   -2.12511e+02   -3.25064e+01    3.45410e-06

           Step           Time
      220780000   441560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55870e+03    1.80931e+04    1.24019e+04    1.11422e+03   -2.92881e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53128e+03    1.04265e+05    2.81259e+05   -1.71611e+04   -2.15623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19844e+04   -1.73511e+06    3.46741e+05   -1.38837e+06   -8.01289e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11186e+02   -2.11298e+02   -4.68749e+01    3.48899e-06

           Step           Time
      220785000   441570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57645e+03    1.84836e+04    1.25617e+04    1.08348e+03   -2.97870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55235e+03    1.03794e+05    2.79773e+05   -1.71610e+04   -2.15391e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21701e+04   -1.73406e+06    3.47457e+05   -1.38660e+06   -8.01042e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11829e+02   -2.11295e+02   -7.27483e+01    3.47846e-06

           Step           Time
      220790000   441580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41206e+03    1.82710e+04    1.25072e+04    1.00296e+03   -2.97166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58183e+03    1.04172e+05    2.78959e+05   -1.71621e+04   -2.15338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19693e+04   -1.73463e+06    3.46243e+05   -1.38839e+06   -8.00718e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10739e+02   -2.11321e+02   -3.79393e+01    3.43577e-06

           Step           Time
      220795000   441590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46157e+03    1.81649e+04    1.25508e+04    1.12095e+03   -2.90837e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57033e+03    1.04447e+05    2.81527e+05   -1.71966e+04   -2.15952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19718e+04   -1.73781e+06    3.46326e+05   -1.39149e+06   -8.00478e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10814e+02   -2.12171e+02    2.21228e+01    3.52050e-06

           Step           Time
      220800000   441600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51559e+03    1.80481e+04    1.24673e+04    1.04661e+03   -2.86755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43045e+03    1.04713e+05    2.78195e+05   -1.71488e+04   -2.15289e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21351e+04   -1.73435e+06    3.46829e+05   -1.38752e+06   -8.00371e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11266e+02   -2.10994e+02   -4.22121e+01    3.54044e-06

           Step           Time
      220805000   441610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37559e+03    1.82628e+04    1.23940e+04    1.00699e+03   -2.92645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48309e+03    1.04132e+05    2.81257e+05   -1.71624e+04   -2.15593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19684e+04   -1.73514e+06    3.46338e+05   -1.38880e+06   -8.00038e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10824e+02   -2.11328e+02    3.50839e+00    3.52932e-06

           Step           Time
      220810000   441620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47349e+03    1.83287e+04    1.24060e+04    1.13915e+03   -2.92407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47498e+03    1.04744e+05    2.83508e+05   -1.72387e+04   -2.15931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21528e+04   -1.73525e+06    3.47260e+05   -1.38798e+06   -7.99615e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11653e+02   -2.13211e+02    9.53519e+01    3.58008e-06

           Step           Time
      220815000   441630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57777e+03    1.82251e+04    1.25240e+04    1.08394e+03   -2.80577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43191e+03    1.04373e+05    2.78952e+05   -1.72277e+04   -2.15496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20806e+04   -1.73574e+06    3.48750e+05   -1.38699e+06   -7.99268e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12990e+02   -2.12939e+02   -1.07294e+02    3.56813e-06

           Step           Time
      220820000   441640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46727e+03    1.82462e+04    1.25018e+04    1.10155e+03   -2.92014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44459e+03    1.03969e+05    2.83603e+05   -1.72182e+04   -2.15826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20545e+04   -1.73501e+06    3.46490e+05   -1.38852e+06   -7.99240e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10961e+02   -2.12703e+02    1.27943e+02    3.60546e-06

           Step           Time
      220825000   441650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52817e+03    1.82784e+04    1.22660e+04    1.04114e+03   -2.86560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46144e+03    1.04307e+05    2.78236e+05   -1.72036e+04   -2.15229e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20534e+04   -1.73419e+06    3.46440e+05   -1.38775e+06   -7.98912e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10917e+02   -2.12344e+02   -9.59066e+01    3.59405e-06

           Step           Time
      220830000   441660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67506e+03    1.81775e+04    1.24505e+04    1.09538e+03   -2.96151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45085e+03    1.04659e+05    2.79364e+05   -1.71521e+04   -2.15454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19945e+04   -1.73478e+06    3.47813e+05   -1.38697e+06   -7.98270e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12149e+02   -2.11075e+02   -1.61390e+02    3.59479e-06

           Step           Time
      220835000   441670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52790e+03    1.85537e+04    1.26003e+04    1.08177e+03   -3.02522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50066e+03    1.04296e+05    2.81686e+05   -1.71779e+04   -2.15701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20541e+04   -1.73491e+06    3.48307e+05   -1.38661e+06   -7.97691e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12592e+02   -2.11711e+02    4.50173e+01    3.53671e-06

           Step           Time
      220840000   441680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42383e+03    1.83892e+04    1.22786e+04    9.86718e+02   -2.89675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55447e+03    1.04402e+05    2.81258e+05   -1.71961e+04   -2.15589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21556e+04   -1.73454e+06    3.45214e+05   -1.38932e+06   -7.97576e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09816e+02   -2.12159e+02    7.19922e+01    3.52584e-06

           Step           Time
      220845000   441690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47301e+03    1.78749e+04    1.23116e+04    1.12060e+03   -2.80725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43695e+03    1.04862e+05    2.81424e+05   -1.71950e+04   -2.15867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19031e+04   -1.73727e+06    3.45493e+05   -1.39177e+06   -7.97262e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10067e+02   -2.12133e+02   -1.44638e+01    3.63217e-06

           Step           Time
      220850000   441700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51942e+03    1.81205e+04    1.22321e+04    1.15432e+03   -2.93805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50833e+03    1.04597e+05    2.81442e+05   -1.71910e+04   -2.15741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20796e+04   -1.73589e+06    3.44596e+05   -1.39129e+06   -7.96584e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09261e+02   -2.12034e+02    4.20344e+01    3.47947e-06

           Step           Time
      220855000   441710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43888e+03    1.80008e+04    1.23361e+04    1.05089e+03   -2.88246e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55775e+03    1.04985e+05    2.81706e+05   -1.72012e+04   -2.15782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21154e+04   -1.73572e+06    3.46878e+05   -1.38884e+06   -7.96781e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11309e+02   -2.12285e+02    1.87659e+01    3.56411e-06

           Step           Time
      220860000   441720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57752e+03    1.87205e+04    1.24226e+04    1.12176e+03   -2.99189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34209e+03    1.04547e+05    2.79031e+05   -1.71847e+04   -2.15201e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19350e+04   -1.73249e+06    3.46168e+05   -1.38632e+06   -7.96370e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10672e+02   -2.11877e+02   -2.81393e+01    3.55931e-06

           Step           Time
      220865000   441730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51131e+03    1.83467e+04    1.23759e+04    1.02441e+03   -2.91756e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40080e+03    1.04813e+05    2.77675e+05   -1.71910e+04   -2.15107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19238e+04   -1.73311e+06    3.45212e+05   -1.38789e+06   -7.96484e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09814e+02   -2.12033e+02   -8.44636e+01    3.49789e-06

           Step           Time
      220870000   441740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64813e+03    1.79385e+04    1.24989e+04    1.11293e+03   -2.95539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55117e+03    1.04421e+05    2.77508e+05   -1.72338e+04   -2.15052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18883e+04   -1.73315e+06    3.46752e+05   -1.38639e+06   -7.96045e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11197e+02   -2.13090e+02   -4.18540e+01    3.58571e-06

           Step           Time
      220875000   441750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56634e+03    1.84724e+04    1.23477e+04    1.08862e+03   -2.91035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54037e+03    1.04283e+05    2.81480e+05   -1.71712e+04   -2.15500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21770e+04   -1.73313e+06    3.45824e+05   -1.38731e+06   -7.95320e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10364e+02   -2.11547e+02    3.97759e+01    3.53302e-06

           Step           Time
      220880000   441760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68596e+03    1.80182e+04    1.23369e+04    1.09814e+03   -2.96102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45996e+03    1.04585e+05    2.82495e+05   -1.72087e+04   -2.15806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19915e+04   -1.73556e+06    3.47406e+05   -1.38816e+06   -7.95549e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11784e+02   -2.12470e+02    2.80278e+01    3.51797e-06

           Step           Time
      220885000   441770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45317e+03    1.85659e+04    1.24498e+04    1.11811e+03   -2.90927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52324e+03    1.04418e+05    2.79294e+05   -1.71822e+04   -2.15277e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21828e+04   -1.73286e+06    3.46538e+05   -1.38632e+06   -7.94769e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11004e+02   -2.11816e+02    5.71626e+00    3.57216e-06

           Step           Time
      220890000   441780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37987e+03    1.78766e+04    1.24457e+04    1.03898e+03   -3.04193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43518e+03    1.04537e+05    2.83257e+05   -1.71775e+04   -2.15886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20215e+04   -1.73609e+06    3.44047e+05   -1.39204e+06   -7.94630e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08769e+02   -2.11701e+02    3.20529e+01    3.52327e-06

           Step           Time
      220895000   441790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32447e+03    1.84554e+04    1.26133e+04    1.01330e+03   -3.04016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54197e+03    1.04427e+05    2.84742e+05   -1.71979e+04   -2.16264e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19300e+04   -1.73783e+06    3.47116e+05   -1.39071e+06   -7.94040e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11523e+02   -2.12202e+02    1.80252e+02    3.62902e-06

           Step           Time
      220900000   441800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62326e+03    1.80798e+04    1.25246e+04    1.04241e+03   -2.99871e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45519e+03    1.03892e+05    2.79506e+05   -1.72018e+04   -2.15467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19835e+04   -1.73577e+06    3.46100e+05   -1.38967e+06   -7.93935e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10612e+02   -2.12299e+02   -2.71691e+01    3.72623e-06

           Step           Time
      220905000   441810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62282e+03    1.84043e+04    1.25515e+04    1.12925e+03   -2.98316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38913e+03    1.04343e+05    2.80457e+05   -1.72460e+04   -2.15587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19021e+04   -1.73530e+06    3.45047e+05   -1.39025e+06   -7.93374e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09666e+02   -2.13392e+02   -1.09543e+01    3.50039e-06

           Step           Time
      220910000   441820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74715e+03    1.81904e+04    1.23867e+04    1.08712e+03   -2.91728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55019e+03    1.04156e+05    2.81483e+05   -1.72230e+04   -2.15613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21426e+04   -1.73453e+06    3.47182e+05   -1.38735e+06   -7.93041e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11582e+02   -2.12822e+02    2.26471e+01    3.66422e-06

           Step           Time
      220915000   441830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44426e+03    1.81135e+04    1.23925e+04    1.04461e+03   -2.96034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46914e+03    1.03849e+05    2.79902e+05   -1.71830e+04   -2.15564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20135e+04   -1.73656e+06    3.46904e+05   -1.38965e+06   -7.93688e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11333e+02   -2.11836e+02   -5.24113e+01    3.76120e-06

           Step           Time
      220920000   441840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40484e+03    1.81713e+04    1.24159e+04    1.11053e+03   -2.93935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37111e+03    1.04321e+05    2.80856e+05   -1.71547e+04   -2.15848e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20166e+04   -1.73790e+06    3.45873e+05   -1.39203e+06   -7.92976e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10407e+02   -2.11141e+02   -1.04091e+02    3.48460e-06

           Step           Time
      220925000   441850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43440e+03    1.87761e+04    1.23772e+04    1.03002e+03   -2.85674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56711e+03    1.03723e+05    2.82402e+05   -1.72142e+04   -2.15924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19591e+04   -1.73705e+06    3.46641e+05   -1.39040e+06   -7.92168e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11097e+02   -2.12604e+02    3.89001e+01    3.50157e-06

           Step           Time
      220930000   441860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67739e+03    1.84934e+04    1.23644e+04    1.05264e+03   -2.89261e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35030e+03    1.03175e+05    2.81062e+05   -1.71928e+04   -2.15474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19392e+04   -1.73471e+06    3.45965e+05   -1.38875e+06   -7.91869e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10490e+02   -2.12078e+02   -7.91643e+01    3.61055e-06

Writing checkpoint, step 220934100 at Fri Dec  1 18:23:07 2023


           Step           Time
      220935000   441870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52863e+03    1.88259e+04    1.23478e+04    1.07469e+03   -2.89645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37833e+03    1.03630e+05    2.78461e+05   -1.71901e+04   -2.15048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20829e+04   -1.73224e+06    3.46002e+05   -1.38623e+06   -7.91868e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10523e+02   -2.12012e+02   -2.38052e+01    3.46366e-06

           Step           Time
      220940000   441880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45880e+03    1.78001e+04    1.23154e+04    1.06907e+03   -2.83529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57223e+03    1.04369e+05    2.83574e+05   -1.72169e+04   -2.16092e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22098e+04   -1.73760e+06    3.48487e+05   -1.38912e+06   -7.91839e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12754e+02   -2.12671e+02    1.01230e+02    3.60804e-06

           Step           Time
      220945000   441890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60165e+03    1.85579e+04    1.23044e+04    1.06028e+03   -2.98910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46133e+03    1.03786e+05    2.81401e+05   -1.72317e+04   -2.15570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21425e+04   -1.73460e+06    3.47575e+05   -1.38703e+06   -7.91458e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11935e+02   -2.13038e+02    4.01832e+01    3.55623e-06

           Step           Time
      220950000   441900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60907e+03    1.86852e+04    1.26351e+04    1.13202e+03   -2.94683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52688e+03    1.03495e+05    2.80006e+05   -1.71946e+04   -2.15438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18458e+04   -1.73459e+06    3.47726e+05   -1.38686e+06   -7.91068e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12070e+02   -2.12122e+02   -4.23179e+01    3.56693e-06

           Step           Time
      220955000   441910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37787e+03    1.82320e+04    1.24598e+04    1.03655e+03   -2.90667e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42149e+03    1.04363e+05    2.81945e+05   -1.72016e+04   -2.15482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21152e+04   -1.73298e+06    3.45907e+05   -1.38707e+06   -7.90671e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10438e+02   -2.12294e+02    1.09374e+02    3.56406e-06

           Step           Time
      220960000   441920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78444e+03    1.83770e+04    1.24608e+04    1.03676e+03   -2.89111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42043e+03    1.04007e+05    2.80415e+05   -1.72056e+04   -2.15328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19627e+04   -1.73292e+06    3.48633e+05   -1.38428e+06   -7.90749e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12884e+02   -2.12394e+02   -2.78521e+01    3.61876e-06

           Step           Time
      220965000   441930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55021e+03    1.83960e+04    1.23244e+04    1.03401e+03   -2.87382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44577e+03    1.04126e+05    2.82442e+05   -1.71760e+04   -2.15681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20392e+04   -1.73450e+06    3.45670e+05   -1.38883e+06   -7.90609e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10225e+02   -2.11664e+02    1.87484e+01    3.38851e-06

           Step           Time
      220970000   441940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56862e+03    1.85744e+04    1.25548e+04    1.03579e+03   -2.97231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41553e+03    1.04116e+05    2.78148e+05   -1.72068e+04   -2.15100e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18729e+04   -1.73289e+06    3.46182e+05   -1.38671e+06   -7.89951e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10685e+02   -2.12422e+02   -8.94757e+01    3.52673e-06

           Step           Time
      220975000   441950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51881e+03    1.78049e+04    1.23689e+04    1.13360e+03   -2.84816e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52072e+03    1.04140e+05    2.79844e+05   -1.72020e+04   -2.15502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21169e+04   -1.73562e+06    3.45204e+05   -1.39041e+06   -7.90176e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09807e+02   -2.12304e+02   -3.99433e+00    3.56447e-06

           Step           Time
      220980000   441960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60653e+03    1.80750e+04    1.25213e+04    1.11526e+03   -2.84570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47698e+03    1.03685e+05    2.81882e+05   -1.71764e+04   -2.15834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20216e+04   -1.73698e+06    3.46567e+05   -1.39041e+06   -7.90059e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11030e+02   -2.11673e+02    9.57420e+00    3.48565e-06

           Step           Time
      220985000   441970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53953e+03    1.78285e+04    1.24803e+04    1.00718e+03   -2.75447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49450e+03    1.04143e+05    2.77674e+05   -1.71825e+04   -2.15119e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21387e+04   -1.73382e+06    3.45161e+05   -1.38866e+06   -7.89645e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09768e+02   -2.11824e+02   -1.13361e+02    3.60065e-06

           Step           Time
      220990000   441980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54092e+03    1.80672e+04    1.23127e+04    1.03788e+03   -2.77696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40345e+03    1.04065e+05    2.81703e+05   -1.71699e+04   -2.15649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19468e+04   -1.73536e+06    3.47600e+05   -1.38776e+06   -7.89745e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11958e+02   -2.11515e+02   -2.96664e+01    3.55796e-06

           Step           Time
      220995000   441990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49651e+03    1.84264e+04    1.22793e+04    1.00708e+03   -3.01073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41453e+03    1.03848e+05    2.81039e+05   -1.72130e+04   -2.15652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21354e+04   -1.73610e+06    3.44814e+05   -1.39129e+06   -7.88865e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09457e+02   -2.12575e+02   -1.99367e+01    3.38556e-06

           Step           Time
      221000000   442000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51110e+03    1.84186e+04    1.24367e+04    1.05993e+03   -2.87182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51757e+03    1.04035e+05    2.81115e+05   -1.71760e+04   -2.15542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21411e+04   -1.73423e+06    3.47357e+05   -1.38687e+06   -7.89030e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11740e+02   -2.11663e+02    6.58713e+00    3.75255e-06

           Step           Time
      221005000   442010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55060e+03    1.84715e+04    1.22981e+04    1.04651e+03   -2.90776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46558e+03    1.04032e+05    2.80304e+05   -1.72147e+04   -2.15583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19659e+04   -1.73582e+06    3.46612e+05   -1.38921e+06   -7.88485e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11071e+02   -2.12617e+02   -3.58605e+01    3.41728e-06

           Step           Time
      221010000   442020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43151e+03    1.77555e+04    1.24721e+04    1.12995e+03   -2.96457e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58934e+03    1.04240e+05    2.77212e+05   -1.71582e+04   -2.15184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21636e+04   -1.73497e+06    3.46080e+05   -1.38889e+06   -7.88452e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10593e+02   -2.11226e+02   -1.93734e+02    3.57209e-06

           Step           Time
      221015000   442030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28470e+03    1.82840e+04    1.25001e+04    1.04714e+03   -2.81845e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65257e+03    1.03852e+05    2.79394e+05   -1.72022e+04   -2.15379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20550e+04   -1.73474e+06    3.46382e+05   -1.38836e+06   -7.87968e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10864e+02   -2.12309e+02   -1.03135e+01    3.43579e-06

           Step           Time
      221020000   442040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39729e+03    1.85002e+04    1.25097e+04    1.02336e+03   -2.93443e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49825e+03    1.04498e+05    2.78951e+05   -1.71625e+04   -2.15561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19716e+04   -1.73635e+06    3.45741e+05   -1.39061e+06   -7.87351e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10289e+02   -2.11333e+02   -8.71479e+01    3.54909e-06

           Step           Time
      221025000   442050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56041e+03    1.83764e+04    1.24567e+04    1.13645e+03   -2.85791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54039e+03    1.03684e+05    2.82598e+05   -1.71945e+04   -2.15818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20143e+04   -1.73586e+06    3.46280e+05   -1.38958e+06   -7.87025e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10773e+02   -2.12120e+02    1.04726e+02    3.53122e-06

           Step           Time
      221030000   442060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25671e+03    1.83367e+04    1.23894e+04    1.01879e+03   -2.82182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62308e+03    1.04376e+05    2.81035e+05   -1.71573e+04   -2.15617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19091e+04   -1.73521e+06    3.47867e+05   -1.38734e+06   -7.86950e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12197e+02   -2.11204e+02   -9.13135e+00    3.62477e-06

           Step           Time
      221035000   442070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74625e+03    1.79143e+04    1.24784e+04    1.14420e+03   -2.78317e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43291e+03    1.04297e+05    2.79872e+05   -1.71936e+04   -2.15515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20272e+04   -1.73522e+06    3.46644e+05   -1.38857e+06   -7.86462e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11100e+02   -2.12096e+02   -9.40764e+01    3.58921e-06

           Step           Time
      221040000   442080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59637e+03    1.83021e+04    1.23521e+04    1.07406e+03   -2.88006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47697e+03    1.04587e+05    2.80931e+05   -1.71794e+04   -2.15443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21393e+04   -1.73303e+06    3.46184e+05   -1.38684e+06   -7.86115e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10687e+02   -2.11749e+02    3.22004e+01    3.74318e-06

           Step           Time
      221045000   442090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43264e+03    1.83302e+04    1.24349e+04    1.04607e+03   -2.91107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47952e+03    1.04522e+05    2.83530e+05   -1.71422e+04   -2.15778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20134e+04   -1.73404e+06    3.46501e+05   -1.38754e+06   -7.85819e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10971e+02   -2.10833e+02    6.59898e+01    3.40904e-06

           Step           Time
      221050000   442100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44160e+03    1.81921e+04    1.24023e+04    1.08584e+03   -2.79411e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41432e+03    1.04457e+05    2.83467e+05   -1.71968e+04   -2.15851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20040e+04   -1.73504e+06    3.45028e+05   -1.39001e+06   -7.85265e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09649e+02   -2.12176e+02    1.26997e+02    3.55343e-06

           Step           Time
      221055000   442110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54294e+03    1.81972e+04    1.23940e+04    1.11604e+03   -2.90487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48638e+03    1.04157e+05    2.79700e+05   -1.72048e+04   -2.15506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20024e+04   -1.73557e+06    3.46288e+05   -1.38928e+06   -7.85346e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10780e+02   -2.12373e+02   -6.44951e+00    3.65466e-06

           Step           Time
      221060000   442120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77825e+03    1.84116e+04    1.25567e+04    1.10004e+03   -2.96949e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43910e+03    1.04443e+05    2.80592e+05   -1.71616e+04   -2.15483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21411e+04   -1.73350e+06    3.46345e+05   -1.38716e+06   -7.84534e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10831e+02   -2.11310e+02   -4.39687e+01    3.48215e-06

           Step           Time
      221065000   442130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51357e+03    1.81468e+04    1.24378e+04    1.09388e+03   -2.88072e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63794e+03    1.04465e+05    2.79056e+05   -1.71681e+04   -2.15416e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19965e+04   -1.73486e+06    3.47988e+05   -1.38687e+06   -7.84752e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12305e+02   -2.11469e+02   -6.69508e+01    3.48754e-06

           Step           Time
      221070000   442140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48217e+03    1.79694e+04    1.22517e+04    1.05550e+03   -2.85520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52280e+03    1.04836e+05    2.83031e+05   -1.72159e+04   -2.15881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18753e+04   -1.73585e+06    3.45588e+05   -1.39026e+06   -7.84211e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10152e+02   -2.12648e+02    7.44932e+01    3.36970e-06

           Step           Time
      221075000   442150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59379e+03    1.85175e+04    1.22143e+04    1.04379e+03   -2.90217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.23998e+03    1.04152e+05    2.83601e+05   -1.72224e+04   -2.16082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20860e+04   -1.73750e+06    3.46368e+05   -1.39113e+06   -7.83698e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10852e+02   -2.12807e+02   -8.71367e+00    3.55904e-06

           Step           Time
      221080000   442160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51930e+03    1.80009e+04    1.24198e+04    1.08660e+03   -2.87607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50970e+03    1.04709e+05    2.82355e+05   -1.71989e+04   -2.15843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18632e+04   -1.73604e+06    3.47914e+05   -1.38813e+06   -7.83804e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12239e+02   -2.12228e+02    3.96063e+01    3.77163e-06

           Step           Time
      221085000   442170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60476e+03    1.83422e+04    1.24112e+04    1.01377e+03   -2.75208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53691e+03    1.04242e+05    2.81313e+05   -1.71888e+04   -2.15442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19562e+04   -1.73294e+06    3.46130e+05   -1.38681e+06   -7.83308e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10639e+02   -2.11980e+02    3.30908e+01    3.69298e-06

           Step           Time
      221090000   442180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00856e+03    1.81615e+04    1.24426e+04    1.08050e+03   -2.93527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47606e+03    1.04033e+05    2.81775e+05   -1.71869e+04   -2.15709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19689e+04   -1.73526e+06    3.46029e+05   -1.38923e+06   -7.82864e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10547e+02   -2.11933e+02   -1.74882e+01    3.51580e-06

           Step           Time
      221095000   442190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38148e+03    1.81816e+04    1.22792e+04    1.05286e+03   -2.88259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38888e+03    1.04415e+05    2.81979e+05   -1.72086e+04   -2.15789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19340e+04   -1.73637e+06    3.47172e+05   -1.38920e+06   -7.82769e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11573e+02   -2.12468e+02    1.36801e+01    3.52983e-06

           Step           Time
      221100000   442200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53627e+03    1.80822e+04    1.23321e+04    1.01199e+03   -2.78315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42082e+03    1.04578e+05    2.81501e+05   -1.71915e+04   -2.15713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19014e+04   -1.73574e+06    3.47201e+05   -1.38854e+06   -7.82836e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11599e+02   -2.12046e+02   -8.85727e+00    3.41901e-06

           Step           Time
      221105000   442210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48726e+03    1.83089e+04    1.24961e+04    1.13155e+03   -2.84370e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50484e+03    1.04471e+05    2.77781e+05   -1.71715e+04   -2.15205e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20767e+04   -1.73381e+06    3.48038e+05   -1.38577e+06   -7.82266e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12351e+02   -2.11554e+02   -1.21921e+02    3.65332e-06

           Step           Time
      221110000   442220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52649e+03    1.82750e+04    1.24557e+04    1.07877e+03   -2.86300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39959e+03    1.04760e+05    2.81198e+05   -1.71716e+04   -2.15501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20472e+04   -1.73331e+06    3.47535e+05   -1.38577e+06   -7.81958e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11899e+02   -2.11556e+02   -2.36269e+01    3.51965e-06

           Step           Time
      221115000   442230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62108e+03    1.82591e+04    1.23390e+04    1.00584e+03   -2.84452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56882e+03    1.04568e+05    2.79906e+05   -1.71615e+04   -2.15206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20802e+04   -1.73172e+06    3.48492e+05   -1.38323e+06   -7.81676e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12758e+02   -2.11307e+02   -2.57124e+01    3.71442e-06

           Step           Time
      221120000   442240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70405e+03    1.82821e+04    1.24062e+04    1.06722e+03   -2.90725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37537e+03    1.04171e+05    2.80726e+05   -1.71626e+04   -2.15436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21017e+04   -1.73360e+06    3.44241e+05   -1.38936e+06   -7.81214e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08943e+02   -2.11334e+02   -3.57627e+01    3.53241e-06

           Step           Time
      221125000   442250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56251e+03    1.81529e+04    1.24804e+04    1.11704e+03   -2.82011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50243e+03    1.04462e+05    2.80941e+05   -1.71695e+04   -2.15593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19410e+04   -1.73476e+06    3.47341e+05   -1.38742e+06   -7.81176e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11725e+02   -2.11503e+02    1.32282e+00    3.54033e-06

           Step           Time
      221130000   442260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42656e+03    1.79842e+04    1.23639e+04    1.11904e+03   -2.96635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48119e+03    1.04261e+05    2.79708e+05   -1.72180e+04   -2.15671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18208e+04   -1.73773e+06    3.45085e+05   -1.39264e+06   -7.81005e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09701e+02   -2.12700e+02   -6.17297e+01    3.53267e-06

           Step           Time
      221135000   442270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68761e+03    1.79668e+04    1.23676e+04    1.03815e+03   -2.87681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52846e+03    1.04433e+05    2.78817e+05   -1.71758e+04   -2.15361e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20448e+04   -1.73478e+06    3.46098e+05   -1.38868e+06   -7.80676e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10609e+02   -2.11660e+02   -1.16323e+02    3.39233e-06

           Step           Time
      221140000   442280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49768e+03    1.83787e+04    1.21598e+04    1.09319e+03   -2.80877e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32434e+03    1.04646e+05    2.81239e+05   -1.71948e+04   -2.15650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19823e+04   -1.73519e+06    3.47264e+05   -1.38792e+06   -7.80196e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11656e+02   -2.12128e+02    3.86165e+01    3.61757e-06

           Step           Time
      221145000   442290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43572e+03    1.80792e+04    1.23984e+04    1.02305e+03   -2.84377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43255e+03    1.04600e+05    2.83085e+05   -1.71742e+04   -2.15947e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21703e+04   -1.73626e+06    3.46086e+05   -1.39018e+06   -7.79646e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10598e+02   -2.11619e+02    4.83198e+01    3.62961e-06

           Step           Time
      221150000   442300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54995e+03    1.82558e+04    1.24859e+04    1.07436e+03   -2.83514e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40378e+03    1.04307e+05    2.81453e+05   -1.71908e+04   -2.15687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19761e+04   -1.73539e+06    3.46602e+05   -1.38878e+06   -7.79366e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11062e+02   -2.12028e+02   -7.39896e-01    3.63888e-06

           Step           Time
      221155000   442310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48556e+03    1.83784e+04    1.24983e+04    1.18199e+03   -3.00216e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39830e+03    1.04288e+05    2.83399e+05   -1.72172e+04   -2.15855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20654e+04   -1.73508e+06    3.46512e+05   -1.38856e+06   -7.78831e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10981e+02   -2.12679e+02    1.50577e+02    3.48256e-06

           Step           Time
      221160000   442320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41344e+03    1.86140e+04    1.24227e+04    1.04195e+03   -2.92995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58184e+03    1.04036e+05    2.78827e+05   -1.71660e+04   -2.15117e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19424e+04   -1.73239e+06    3.47038e+05   -1.38535e+06   -7.79012e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11453e+02   -2.11417e+02   -4.41913e+01    3.58463e-06

           Step           Time
      221165000   442330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37266e+03    1.84489e+04    1.25395e+04    1.13922e+03   -2.91941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47013e+03    1.04628e+05    2.82809e+05   -1.72148e+04   -2.15926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20984e+04   -1.73589e+06    3.46501e+05   -1.38939e+06   -7.78284e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10971e+02   -2.12620e+02    8.55106e+01    3.43948e-06

           Step           Time
      221170000   442340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57372e+03    1.87145e+04    1.24368e+04    1.06674e+03   -3.00129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41150e+03    1.04393e+05    2.80886e+05   -1.71882e+04   -2.15402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19259e+04   -1.73280e+06    3.46654e+05   -1.38614e+06   -7.77704e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11108e+02   -2.11963e+02   -1.37010e+01    3.65993e-06

           Step           Time
      221175000   442350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25813e+03    1.81926e+04    1.24661e+04    1.05525e+03   -2.93867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46776e+03    1.04424e+05    2.79739e+05   -1.72378e+04   -2.15596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20321e+04   -1.73650e+06    3.45930e+05   -1.39057e+06   -7.77915e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10458e+02   -2.13188e+02   -7.64308e+00    3.56992e-06

           Step           Time
      221180000   442360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45264e+03    1.81048e+04    1.24637e+04    1.07892e+03   -2.82731e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44260e+03    1.04457e+05    2.80150e+05   -1.71955e+04   -2.15420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20539e+04   -1.73402e+06    3.46231e+05   -1.38779e+06   -7.77506e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10729e+02   -2.12143e+02    2.18651e+01    3.39047e-06

           Step           Time
      221185000   442370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74584e+03    1.81507e+04    1.24599e+04    1.08237e+03   -2.95190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46263e+03    1.04453e+05    2.81105e+05   -1.71858e+04   -2.15586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20532e+04   -1.73448e+06    3.46726e+05   -1.38776e+06   -7.77201e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11173e+02   -2.11905e+02   -2.91737e+01    3.50162e-06

           Step           Time
      221190000   442380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44116e+03    1.84167e+04    1.24356e+04    1.09367e+03   -2.81212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54419e+03    1.04516e+05    2.80131e+05   -1.72106e+04   -2.15479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20818e+04   -1.73415e+06    3.47747e+05   -1.38640e+06   -7.76688e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12089e+02   -2.12517e+02    5.29889e+01    3.57022e-06

           Step           Time
      221195000   442390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43257e+03    1.81652e+04    1.24124e+04    1.05685e+03   -2.86465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39825e+03    1.04907e+05    2.76939e+05   -1.71379e+04   -2.14979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20026e+04   -1.73248e+06    3.45284e+05   -1.38719e+06   -7.76155e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09879e+02   -2.10728e+02   -1.92775e+02    3.70635e-06

           Step           Time
      221200000   442400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73197e+03    1.83974e+04    1.24205e+04    1.14578e+03   -2.93974e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37468e+03    1.04708e+05    2.81901e+05   -1.72089e+04   -2.15774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21087e+04   -1.73510e+06    3.46134e+05   -1.38897e+06   -7.75718e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10641e+02   -2.12474e+02    7.83180e+01    3.48461e-06

           Step           Time
      221205000   442410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58251e+03    1.85371e+04    1.23496e+04    1.00121e+03   -2.98104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54517e+03    1.04504e+05    2.81466e+05   -1.71940e+04   -2.15426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20434e+04   -1.73241e+06    3.45829e+05   -1.38658e+06   -7.75201e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10368e+02   -2.12107e+02    8.41901e+01    3.51770e-06

           Step           Time
      221210000   442420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41423e+03    1.79390e+04    1.22567e+04    1.00943e+03   -2.90098e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38509e+03    1.05027e+05    2.81311e+05   -1.71965e+04   -2.15743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20625e+04   -1.73612e+06    3.44689e+05   -1.39143e+06   -7.75232e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09345e+02   -2.12170e+02   -4.00607e+01    3.59506e-06

           Step           Time
      221215000   442430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39712e+03    1.77337e+04    1.23803e+04    1.09625e+03   -2.88432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52738e+03    1.04780e+05    2.82616e+05   -1.71854e+04   -2.16106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20232e+04   -1.73858e+06    3.47394e+05   -1.39118e+06   -7.75395e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11773e+02   -2.11896e+02    5.95229e+01    3.60053e-06

           Step           Time
      221220000   442440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50744e+03    1.80470e+04    1.22755e+04    1.07860e+03   -2.96268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54172e+03    1.05166e+05    2.80238e+05   -1.71560e+04   -2.15621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20732e+04   -1.73540e+06    3.47095e+05   -1.38830e+06   -7.74855e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11505e+02   -2.11173e+02   -6.32698e+01    3.62857e-06

           Step           Time
      221225000   442450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49423e+03    1.82870e+04    1.22916e+04    9.86557e+02   -2.80687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35408e+03    1.04501e+05    2.78976e+05   -1.71383e+04   -2.15113e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19720e+04   -1.73221e+06    3.46171e+05   -1.38604e+06   -7.74859e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10675e+02   -2.10737e+02   -1.04891e+02    3.57689e-06

           Step           Time
      221230000   442460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70436e+03    1.81642e+04    1.25351e+04    1.12161e+03   -2.96539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38668e+03    1.04975e+05    2.81811e+05   -1.71899e+04   -2.15853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20024e+04   -1.73598e+06    3.45684e+05   -1.39030e+06   -7.74129e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10238e+02   -2.12005e+02   -5.30133e+01    3.56655e-06

           Step           Time
      221235000   442470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67585e+03    1.81875e+04    1.26130e+04    1.04256e+03   -2.90256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39634e+03    1.04505e+05    2.83819e+05   -1.72174e+04   -2.15986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17532e+04   -1.73598e+06    3.46367e+05   -1.38962e+06   -7.74250e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10851e+02   -2.12685e+02    1.05242e+02    3.58392e-06

           Step           Time
      221240000   442480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69229e+03    1.81322e+04    1.21657e+04    1.13478e+03   -2.89670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54318e+03    1.04492e+05    2.80926e+05   -1.72371e+04   -2.15697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18747e+04   -1.73615e+06    3.47680e+05   -1.38846e+06   -7.74371e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12030e+02   -2.13172e+02    3.54207e+01    3.60660e-06

           Step           Time
      221245000   442490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76325e+03    1.82914e+04    1.23277e+04    1.04996e+03   -2.89770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37361e+03    1.04122e+05    2.80154e+05   -1.71994e+04   -2.15593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20132e+04   -1.73594e+06    3.47048e+05   -1.38889e+06   -7.73632e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11462e+02   -2.12241e+02   -5.17339e+01    3.55454e-06

           Step           Time
      221250000   442500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75607e+03    1.82590e+04    1.22828e+04    1.05623e+03   -2.93651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38074e+03    1.04359e+05    2.80789e+05   -1.72008e+04   -2.15471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19216e+04   -1.73404e+06    3.44857e+05   -1.38918e+06   -7.73125e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09496e+02   -2.12274e+02   -3.18886e+01    3.50871e-06

           Step           Time
      221255000   442510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64240e+03    1.83804e+04    1.24665e+04    1.06566e+03   -2.83218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45679e+03    1.04106e+05    2.82915e+05   -1.71754e+04   -2.15714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19035e+04   -1.73421e+06    3.46470e+05   -1.38774e+06   -7.72651e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10944e+02   -2.11650e+02    5.88519e+01    3.62920e-06

           Step           Time
      221260000   442520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50207e+03    1.81381e+04    1.22938e+04    1.05462e+03   -2.90297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52850e+03    1.04212e+05    2.79925e+05   -1.71756e+04   -2.15442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20280e+04   -1.73482e+06    3.45905e+05   -1.38891e+06   -7.72609e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10437e+02   -2.11654e+02   -6.42545e+01    3.53250e-06

           Step           Time
      221265000   442530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56876e+03    1.81011e+04    1.23160e+04    1.03146e+03   -2.94205e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38060e+03    1.04997e+05    2.80610e+05   -1.71745e+04   -2.15616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21140e+04   -1.73516e+06    3.46496e+05   -1.38867e+06   -7.71991e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10966e+02   -2.11627e+02   -4.39375e+01    3.69879e-06

           Step           Time
      221270000   442540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64843e+03    1.81216e+04    1.21767e+04    1.05696e+03   -2.85653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49774e+03    1.04205e+05    2.80654e+05   -1.71523e+04   -2.15581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19525e+04   -1.73550e+06    3.46362e+05   -1.38914e+06   -7.71876e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10846e+02   -2.11082e+02   -6.38551e+01    3.61520e-06

           Step           Time
      221275000   442550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66958e+03    1.82939e+04    1.22165e+04    1.11590e+03   -2.78474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42585e+03    1.04883e+05    2.81834e+05   -1.71916e+04   -2.15819e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20924e+04   -1.73563e+06    3.47680e+05   -1.38795e+06   -7.71314e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12030e+02   -2.12049e+02   -1.73610e+01    3.57513e-06

           Step           Time
      221280000   442560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54447e+03    1.80569e+04    1.22433e+04    1.09150e+03   -2.87650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60894e+03    1.04301e+05    2.79530e+05   -1.71787e+04   -2.15571e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20922e+04   -1.73630e+06    3.46851e+05   -1.38945e+06   -7.71029e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11285e+02   -2.11731e+02   -8.26492e+01    3.72974e-06

           Step           Time
      221285000   442570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46191e+03    1.80491e+04    1.23273e+04    1.06890e+03   -2.93752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50484e+03    1.04540e+05    2.78797e+05   -1.71605e+04   -2.15237e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20129e+04   -1.73371e+06    3.46368e+05   -1.38734e+06   -7.71075e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10852e+02   -2.11283e+02   -1.18020e+02    3.56676e-06

           Step           Time
      221290000   442580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43597e+03    1.82974e+04    1.23923e+04    1.09301e+03   -2.90358e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.30417e+03    1.04110e+05    2.78651e+05   -1.71549e+04   -2.15580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18603e+04   -1.73771e+06    3.45480e+05   -1.39223e+06   -7.70525e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10055e+02   -2.11144e+02   -2.13973e+02    3.60274e-06

           Step           Time
      221295000   442590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57979e+03    1.84553e+04    1.23363e+04    1.10122e+03   -2.82953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53239e+03    1.04212e+05    2.80192e+05   -1.72236e+04   -2.15458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18094e+04   -1.73441e+06    3.46169e+05   -1.38824e+06   -7.69795e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10674e+02   -2.12838e+02    6.11167e+01    3.61126e-06

           Step           Time
      221300000   442600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33483e+03    1.80397e+04    1.23927e+04    1.02797e+03   -2.86770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46270e+03    1.04676e+05    2.80506e+05   -1.71921e+04   -2.15637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18535e+04   -1.73614e+06    3.45837e+05   -1.39030e+06   -7.69905e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10375e+02   -2.12061e+02   -8.04447e+01    3.57375e-06

           Step           Time
      221305000   442610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52482e+03    1.81895e+04    1.22654e+04    1.08236e+03   -2.97698e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59300e+03    1.04126e+05    2.81136e+05   -1.72014e+04   -2.15615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19400e+04   -1.73547e+06    3.47418e+05   -1.38805e+06   -7.69601e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11795e+02   -2.12291e+02    2.41254e+01    3.56520e-06

           Step           Time
      221310000   442620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32766e+03    1.80987e+04    1.23316e+04    1.06537e+03   -2.99252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56689e+03    1.04787e+05    2.78874e+05   -1.71630e+04   -2.15509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19476e+04   -1.73624e+06    3.45178e+05   -1.39106e+06   -7.69028e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09784e+02   -2.11344e+02   -3.48450e+01    3.57732e-06

           Step           Time
      221315000   442630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54393e+03    1.83166e+04    1.23800e+04    1.08780e+03   -2.85511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47149e+03    1.04424e+05    2.79660e+05   -1.71565e+04   -2.15320e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20673e+04   -1.73326e+06    3.48405e+05   -1.38486e+06   -7.69014e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12680e+02   -2.11184e+02   -4.49729e+01    3.60647e-06

           Step           Time
      221320000   442640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62313e+03    1.82719e+04    1.24549e+04    1.07974e+03   -2.90324e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39043e+03    1.04651e+05    2.81069e+05   -1.71830e+04   -2.15598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19346e+04   -1.73459e+06    3.46850e+05   -1.38774e+06   -7.68531e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11284e+02   -2.11837e+02   -3.10765e+01    3.60455e-06

           Step           Time
      221325000   442650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63990e+03    1.79863e+04    1.23255e+04    1.12259e+03   -2.80522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48683e+03    1.04370e+05    2.81189e+05   -1.71917e+04   -2.15491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20278e+04   -1.73376e+06    3.45666e+05   -1.38810e+06   -7.67952e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10222e+02   -2.12050e+02    6.00906e+00    3.69442e-06

           Step           Time
      221330000   442660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51369e+03    1.87238e+04    1.23806e+04    1.01448e+03   -2.86827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41890e+03    1.04498e+05    2.80843e+05   -1.71872e+04   -2.15628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19319e+04   -1.73501e+06    3.48137e+05   -1.38688e+06   -7.67924e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12440e+02   -2.11939e+02   -3.71397e+01    3.66915e-06

           Step           Time
      221335000   442670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52787e+03    1.79526e+04    1.24313e+04    1.07287e+03   -2.92811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41172e+03    1.04770e+05    2.80180e+05   -1.72065e+04   -2.15544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19183e+04   -1.73531e+06    3.45833e+05   -1.38948e+06   -7.67399e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10372e+02   -2.12414e+02    1.69448e+00    3.60081e-06

           Step           Time
      221340000   442680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56828e+03    1.84621e+04    1.24932e+04    1.07467e+03   -2.83614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38917e+03    1.04485e+05    2.82643e+05   -1.72137e+04   -2.15905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19880e+04   -1.73600e+06    3.48787e+05   -1.38721e+06   -7.67139e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13023e+02   -2.12593e+02    9.34212e+01    3.60907e-06

           Step           Time
      221345000   442690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45883e+03    1.82563e+04    1.24921e+04    1.01786e+03   -2.93674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53130e+03    1.04662e+05    2.80374e+05   -1.71764e+04   -2.15337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22460e+04   -1.73245e+06    3.46609e+05   -1.38584e+06   -7.67239e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11068e+02   -2.11674e+02    3.94366e+00    3.69216e-06

           Step           Time
      221350000   442700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59034e+03    1.82624e+04    1.25746e+04    1.10586e+03   -2.83834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36008e+03    1.04099e+05    2.81665e+05   -1.71920e+04   -2.15664e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21358e+04   -1.73488e+06    3.48143e+05   -1.38673e+06   -7.67069e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12445e+02   -2.12057e+02    5.89777e+00    3.68516e-06

           Step           Time
      221355000   442710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57331e+03    1.79458e+04    1.23763e+04    1.08886e+03   -2.84264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39035e+03    1.04527e+05    2.83612e+05   -1.71938e+04   -2.16090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21027e+04   -1.73732e+06    3.46971e+05   -1.39035e+06   -7.66814e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11393e+02   -2.12102e+02    6.77643e+01    3.47916e-06

           Step           Time
      221360000   442720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51831e+03    1.79921e+04    1.23166e+04    1.15896e+03   -2.91142e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36736e+03    1.04747e+05    2.83222e+05   -1.72069e+04   -2.15983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18945e+04   -1.73673e+06    3.45590e+05   -1.39114e+06   -7.66596e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10153e+02   -2.12426e+02    8.76322e+00    3.50909e-06

           Step           Time
      221365000   442730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37554e+03    1.83873e+04    1.24754e+04    1.12260e+03   -2.86024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45843e+03    1.03713e+05    2.80803e+05   -1.72169e+04   -2.15442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18203e+04   -1.73434e+06    3.47788e+05   -1.38655e+06   -7.66194e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12126e+02   -2.12673e+02    3.24966e+01    3.46067e-06

           Step           Time
      221370000   442740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52048e+03    1.87260e+04    1.23835e+04    1.17778e+03   -2.87318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52823e+03    1.03748e+05    2.84195e+05   -1.71763e+04   -2.15832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21683e+04   -1.73392e+06    3.48276e+05   -1.38564e+06   -7.65974e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12564e+02   -2.11671e+02    1.70933e+02    3.58549e-06

           Step           Time
      221375000   442750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54734e+03    1.80417e+04    1.23178e+04    1.01309e+03   -2.81482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43228e+03    1.03841e+05    2.81091e+05   -1.72120e+04   -2.15830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20622e+04   -1.73798e+06    3.47306e+05   -1.39067e+06   -7.66134e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11694e+02   -2.12551e+02   -3.63558e+01    3.61564e-06

           Step           Time
      221380000   442760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51203e+03    1.80848e+04    1.23142e+04    1.01232e+03   -2.89419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51888e+03    1.04131e+05    2.81278e+05   -1.71991e+04   -2.15536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20264e+04   -1.73457e+06    3.45280e+05   -1.38929e+06   -7.65669e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09876e+02   -2.12234e+02    1.70460e+01    3.51567e-06

           Step           Time
      221385000   442770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63808e+03    1.85855e+04    1.24224e+04    1.04783e+03   -2.88189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37565e+03    1.03998e+05    2.80104e+05   -1.71875e+04   -2.15423e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20101e+04   -1.73412e+06    3.45138e+05   -1.38898e+06   -7.65181e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09748e+02   -2.11947e+02   -3.33530e+01    3.54494e-06

           Step           Time
      221390000   442780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43540e+03    1.82216e+04    1.24080e+04    1.08342e+03   -2.86235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51094e+03    1.03792e+05    2.83405e+05   -1.71826e+04   -2.15821e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20419e+04   -1.73536e+06    3.46397e+05   -1.38896e+06   -7.65550e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10878e+02   -2.11827e+02    8.59150e+01    3.51649e-06

           Step           Time
      221395000   442790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84016e+03    1.86859e+04    1.23867e+04    1.01785e+03   -2.88391e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39791e+03    1.03925e+05    2.79320e+05   -1.71717e+04   -2.15133e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21425e+04   -1.73167e+06    3.45979e+05   -1.38569e+06   -7.64581e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10503e+02   -2.11558e+02   -4.18771e+01    3.45107e-06

           Step           Time
      221400000   442800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69184e+03    1.80087e+04    1.24944e+04    1.09535e+03   -2.92917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48767e+03    1.03717e+05    2.83578e+05   -1.71605e+04   -2.15858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20528e+04   -1.73554e+06    3.46348e+05   -1.38919e+06   -7.64451e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10834e+02   -2.11284e+02    5.02971e+01    3.33633e-06

           Step           Time
      221405000   442810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49697e+03    1.86086e+04    1.23887e+04    1.06043e+03   -2.85818e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42271e+03    1.03288e+05    2.80913e+05   -1.71726e+04   -2.15572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19229e+04   -1.73565e+06    3.47982e+05   -1.38767e+06   -7.64172e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12300e+02   -2.11581e+02   -2.66619e+00    3.27994e-06

           Step           Time
      221410000   442820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69486e+03    1.81911e+04    1.22172e+04    1.06156e+03   -2.75769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40846e+03    1.03682e+05    2.82262e+05   -1.71584e+04   -2.15720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20951e+04   -1.73550e+06    3.46541e+05   -1.38896e+06   -7.64289e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11007e+02   -2.11230e+02    4.87607e+01    3.41768e-06

           Step           Time
      221415000   442830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58806e+03    1.82837e+04    1.25057e+04    1.06770e+03   -2.92763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33639e+03    1.04135e+05    2.81090e+05   -1.71896e+04   -2.15746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19040e+04   -1.73667e+06    3.45968e+05   -1.39070e+06   -7.63721e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10493e+02   -2.12000e+02   -1.36159e+01    3.58063e-06

           Step           Time
      221420000   442840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71795e+03    1.79403e+04    1.24608e+04    1.15365e+03   -2.87682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54606e+03    1.03697e+05    2.80384e+05   -1.71607e+04   -2.15347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20361e+04   -1.73357e+06    3.48006e+05   -1.38556e+06   -7.63852e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12321e+02   -2.11287e+02    1.44880e+01    3.58129e-06

           Step           Time
      221425000   442850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83511e+03    1.82296e+04    1.24468e+04    1.06860e+03   -2.87287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35554e+03    1.03693e+05    2.81021e+05   -1.71935e+04   -2.15512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18558e+04   -1.73468e+06    3.46565e+05   -1.38811e+06   -7.63139e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11029e+02   -2.12094e+02   -1.25988e+01    3.46138e-06

           Step           Time
      221430000   442860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55343e+03    1.80978e+04    1.24291e+04    1.14450e+03   -2.88879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43952e+03    1.04067e+05    2.82093e+05   -1.72001e+04   -2.15764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19916e+04   -1.73592e+06    3.47312e+05   -1.38860e+06   -7.63184e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11699e+02   -2.12257e+02    6.55455e+01    3.61852e-06

           Step           Time
      221435000   442870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48236e+03    1.80716e+04    1.22310e+04    1.14908e+03   -2.77907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47552e+03    1.03955e+05    2.79722e+05   -1.72209e+04   -2.15798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20059e+04   -1.73888e+06    3.43123e+05   -1.39576e+06   -7.62428e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07940e+02   -2.12771e+02   -9.78178e+01    3.45000e-06

           Step           Time
      221440000   442880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60986e+03    1.85899e+04    1.22408e+04    1.07998e+03   -2.78420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52329e+03    1.04047e+05    2.82199e+05   -1.72329e+04   -2.15632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19907e+04   -1.73406e+06    3.47892e+05   -1.38617e+06   -7.62271e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12220e+02   -2.13067e+02    1.21349e+02    3.60065e-06

           Step           Time
      221445000   442890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59002e+03    1.79299e+04    1.24233e+04    1.10592e+03   -2.86428e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62093e+03    1.04145e+05    2.79410e+05   -1.71541e+04   -2.15595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19125e+04   -1.73683e+06    3.46403e+05   -1.39043e+06   -7.61914e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10883e+02   -2.11125e+02   -1.07243e+02    3.28625e-06

           Step           Time
      221450000   442900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59075e+03    1.83430e+04    1.23120e+04    1.03969e+03   -2.86814e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59782e+03    1.04035e+05    2.82116e+05   -1.71846e+04   -2.15403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19627e+04   -1.73208e+06    3.47955e+05   -1.38413e+06   -7.61165e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12276e+02   -2.11877e+02    1.20595e+02    3.57463e-06

           Step           Time
      221455000   442910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44871e+03    1.81368e+04    1.25133e+04    1.19836e+03   -2.82988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36196e+03    1.04241e+05    2.79834e+05   -1.71802e+04   -2.15629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20713e+04   -1.73650e+06    3.47473e+05   -1.38902e+06   -7.61748e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11843e+02   -2.11768e+02   -1.14512e+02    3.61139e-06

           Step           Time
      221460000   442920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54750e+03    1.84435e+04    1.23855e+04    1.14575e+03   -2.77392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49592e+03    1.03956e+05    2.79156e+05   -1.71952e+04   -2.15138e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21282e+04   -1.73209e+06    3.47561e+05   -1.38453e+06   -7.61001e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11922e+02   -2.12136e+02   -2.44693e+00    3.60333e-06

           Step           Time
      221465000   442930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38377e+03    1.80751e+04    1.25570e+04    1.01681e+03   -2.89872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61280e+03    1.04207e+05    2.79730e+05   -1.71940e+04   -2.15375e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20765e+04   -1.73419e+06    3.48010e+05   -1.38618e+06   -7.61001e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12326e+02   -2.12108e+02    4.22339e+01    3.62540e-06

           Step           Time
      221470000   442940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56007e+03    1.86812e+04    1.24752e+04    1.15517e+03   -2.95102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52729e+03    1.03613e+05    2.77526e+05   -1.72196e+04   -2.14941e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21866e+04   -1.73185e+06    3.48874e+05   -1.38298e+06   -7.60151e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13101e+02   -2.12738e+02   -2.28699e+01    3.51846e-06

           Step           Time
      221475000   442950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26125e+03    1.86627e+04    1.25348e+04    1.01644e+03   -3.04616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50597e+03    1.03673e+05    2.82298e+05   -1.72055e+04   -2.15637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20632e+04   -1.73461e+06    3.46427e+05   -1.38818e+06   -7.59934e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10905e+02   -2.12391e+02    1.16718e+02    3.62863e-06

           Step           Time
      221480000   442960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57164e+03    1.83561e+04    1.23154e+04    1.07396e+03   -2.96748e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39649e+03    1.03830e+05    2.81575e+05   -1.71819e+04   -2.15687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20456e+04   -1.73586e+06    3.45851e+05   -1.39001e+06   -7.59722e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10388e+02   -2.11810e+02   -6.06391e+01    3.59303e-06

           Step           Time
      221485000   442970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63144e+03    1.86860e+04    1.23369e+04    1.04405e+03   -2.88271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37247e+03    1.03821e+05    2.80623e+05   -1.72050e+04   -2.15615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20126e+04   -1.73571e+06    3.47114e+05   -1.38860e+06   -7.59356e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11521e+02   -2.12379e+02   -1.05229e+01    3.37359e-06

           Step           Time
      221490000   442980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49429e+03    1.84307e+04    1.22680e+04    1.03699e+03   -2.78525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52916e+03    1.03810e+05    2.78426e+05   -1.71460e+04   -2.15212e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19932e+04   -1.73406e+06    3.45796e+05   -1.38826e+06   -7.58725e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10339e+02   -2.10927e+02   -1.44294e+02    3.48874e-06

           Step           Time
      221495000   442990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53814e+03    1.84450e+04    1.23584e+04    1.10936e+03   -2.85996e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40357e+03    1.03866e+05    2.79910e+05   -1.71837e+04   -2.15109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19908e+04   -1.73151e+06    3.48276e+05   -1.38323e+06   -7.58616e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12564e+02   -2.11853e+02    2.69245e+01    3.85412e-06

           Step           Time
      221500000   443000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72933e+03    1.87265e+04    1.24817e+04    1.03255e+03   -2.73802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52013e+03    1.03802e+05    2.79978e+05   -1.71997e+04   -2.15279e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19908e+04   -1.73247e+06    3.47820e+05   -1.38465e+06   -7.57981e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12155e+02   -2.12247e+02    3.20156e+01    3.61880e-06

           Step           Time
      221505000   443010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42086e+03    1.83151e+04    1.24216e+04    1.14136e+03   -2.76573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53541e+03    1.04155e+05    2.79470e+05   -1.72299e+04   -2.15373e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20647e+04   -1.73420e+06    3.47718e+05   -1.38648e+06   -7.58288e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12064e+02   -2.12994e+02    3.06008e+01    3.53184e-06

           Step           Time
      221510000   443020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46964e+03    1.81908e+04    1.23190e+04    1.08312e+03   -2.70163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38368e+03    1.04437e+05    2.80238e+05   -1.71860e+04   -2.15298e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19394e+04   -1.73281e+06    3.47461e+05   -1.38535e+06   -7.57796e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11833e+02   -2.11911e+02   -1.91900e+01    3.56193e-06

           Step           Time
      221515000   443030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32690e+03    1.83545e+04    1.24264e+04    1.12752e+03   -2.72721e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44813e+03    1.04097e+05    2.79157e+05   -1.71543e+04   -2.15486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19642e+04   -1.73584e+06    3.45797e+05   -1.39005e+06   -7.57246e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10340e+02   -2.11130e+02   -1.32334e+02    3.47454e-06

           Step           Time
      221520000   443040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29485e+03    1.83877e+04    1.23917e+04    1.09050e+03   -2.69537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44670e+03    1.04061e+05    2.81652e+05   -1.72141e+04   -2.15781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18885e+04   -1.73651e+06    3.46379e+05   -1.39013e+06   -7.56705e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10862e+02   -2.12603e+02    2.06754e+01    3.47481e-06

           Step           Time
      221525000   443050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52979e+03    1.81336e+04    1.23050e+04    1.13272e+03   -2.80968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44441e+03    1.04693e+05    2.79497e+05   -1.71898e+04   -2.15468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21036e+04   -1.73484e+06    3.46083e+05   -1.38875e+06   -7.56460e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10596e+02   -2.12004e+02   -6.52982e+01    3.58780e-06

           Step           Time
      221530000   443060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50701e+03    1.80466e+04    1.24233e+04    1.08354e+03   -2.86226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56327e+03    1.04396e+05    2.79991e+05   -1.71836e+04   -2.15348e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20271e+04   -1.73349e+06    3.45058e+05   -1.38843e+06   -7.56375e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09676e+02   -2.11851e+02   -4.00027e+01    3.57164e-06

           Step           Time
      221535000   443070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66765e+03    1.81280e+04    1.26657e+04    1.06793e+03   -2.89750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51416e+03    1.04165e+05    2.79862e+05   -1.72212e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19773e+04   -1.73527e+06    3.47104e+05   -1.38817e+06   -7.56199e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11513e+02   -2.12779e+02   -9.97442e+00    3.80280e-06

           Step           Time
      221540000   443080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38025e+03    1.80850e+04    1.24448e+04    1.10543e+03   -2.83831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50735e+03    1.04165e+05    2.79660e+05   -1.71873e+04   -2.15415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20395e+04   -1.73479e+06    3.46396e+05   -1.38840e+06   -7.55904e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10877e+02   -2.11943e+02    1.17269e+01    3.52129e-06

           Step           Time
      221545000   443090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40279e+03    1.78534e+04    1.23275e+04    1.15332e+03   -2.89359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58562e+03    1.03779e+05    2.80041e+05   -1.72192e+04   -2.15380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18135e+04   -1.73495e+06    3.47018e+05   -1.38793e+06   -7.55978e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11435e+02   -2.12729e+02   -4.42570e+00    3.55111e-06

           Step           Time
      221550000   443100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59494e+03    1.82460e+04    1.23576e+04    1.09064e+03   -2.79996e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59408e+03    1.04473e+05    2.81490e+05   -1.72255e+04   -2.15835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21505e+04   -1.73638e+06    3.47748e+05   -1.38863e+06   -7.55165e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12090e+02   -2.12884e+02    6.03274e+01    3.83181e-06

           Step           Time
      221555000   443110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84066e+03    1.81958e+04    1.23560e+04    1.03688e+03   -2.98546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46379e+03    1.04098e+05    2.80801e+05   -1.71990e+04   -2.15430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19193e+04   -1.73377e+06    3.46762e+05   -1.38701e+06   -7.54925e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11205e+02   -2.12231e+02    1.82693e+01    3.54748e-06

           Step           Time
      221560000   443120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53813e+03    1.78442e+04    1.24667e+04    1.11905e+03   -2.93684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48611e+03    1.04062e+05    2.82318e+05   -1.72263e+04   -2.15814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19466e+04   -1.73653e+06    3.46395e+05   -1.39013e+06   -7.55371e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10876e+02   -2.12903e+02    7.08126e+01    3.59941e-06

           Step           Time
      221565000   443130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55985e+03    1.81862e+04    1.25510e+04    1.12163e+03   -2.81233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54926e+03    1.04187e+05    2.79974e+05   -1.71785e+04   -2.15292e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19016e+04   -1.73288e+06    3.46690e+05   -1.38619e+06   -7.54765e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11140e+02   -2.11726e+02   -9.51783e-01    3.59281e-06

           Step           Time
      221570000   443140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61478e+03    1.82602e+04    1.23917e+04    1.03193e+03   -2.84003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32088e+03    1.04065e+05    2.81393e+05   -1.72157e+04   -2.15648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20579e+04   -1.73540e+06    3.46323e+05   -1.38908e+06   -7.54469e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10812e+02   -2.12643e+02   -3.10313e+01    3.53278e-06

           Step           Time
      221575000   443150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41590e+03    1.83242e+04    1.22267e+04    1.14236e+03   -2.85494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37615e+03    1.04343e+05    2.81537e+05   -1.71806e+04   -2.15588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19412e+04   -1.73461e+06    3.46999e+05   -1.38762e+06   -7.54649e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11418e+02   -2.11778e+02    1.32828e+01    3.64271e-06

           Step           Time
      221580000   443160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60636e+03    1.84758e+04    1.24328e+04    1.12675e+03   -2.89032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38515e+03    1.04089e+05    2.79121e+05   -1.71301e+04   -2.15137e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20362e+04   -1.73212e+06    3.47116e+05   -1.38500e+06   -7.53932e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11523e+02   -2.10537e+02   -9.22976e+01    3.59579e-06

           Step           Time
      221585000   443170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25048e+03    1.81751e+04    1.25562e+04    1.16632e+03   -2.95358e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54427e+03    1.04185e+05    2.79469e+05   -1.72006e+04   -2.15467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20225e+04   -1.73545e+06    3.46960e+05   -1.38849e+06   -7.53734e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11383e+02   -2.12270e+02   -5.73423e+01    3.59038e-06

           Step           Time
      221590000   443180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72845e+03    1.81896e+04    1.25144e+04    1.08652e+03   -2.92506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43071e+03    1.03816e+05    2.82504e+05   -1.71938e+04   -2.15632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19770e+04   -1.73419e+06    3.46776e+05   -1.38742e+06   -7.53288e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11218e+02   -2.12103e+02   -1.73472e+01    3.59536e-06

           Step           Time
      221595000   443190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60208e+03    1.84138e+04    1.23521e+04    1.08747e+03   -2.88061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51762e+03    1.04123e+05    2.81636e+05   -1.71958e+04   -2.15300e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21744e+04   -1.73117e+06    3.47222e+05   -1.38395e+06   -7.53178e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11618e+02   -2.12152e+02    9.13588e+01    3.83845e-06

           Step           Time
      221600000   443200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44537e+03    1.80926e+04    1.23573e+04    1.07761e+03   -2.80773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47884e+03    1.04278e+05    2.80722e+05   -1.71911e+04   -2.15542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20025e+04   -1.73496e+06    3.45059e+05   -1.38990e+06   -7.53209e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09677e+02   -2.12036e+02    9.05172e+00    3.72332e-06

           Step           Time
      221605000   443210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37228e+03    1.81376e+04    1.22866e+04    1.07873e+03   -2.87266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43698e+03    1.04317e+05    2.81304e+05   -1.71574e+04   -2.15656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19218e+04   -1.73574e+06    3.44532e+05   -1.39120e+06   -7.53095e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09204e+02   -2.11206e+02   -5.04065e+00    3.65218e-06

Writing checkpoint, step 221608900 at Fri Dec  1 18:38:07 2023


           Step           Time
      221610000   443220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47862e+03    1.80943e+04    1.23535e+04    1.05755e+03   -2.91259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49545e+03    1.04132e+05    2.82109e+05   -1.71480e+04   -2.15601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21216e+04   -1.73423e+06    3.46128e+05   -1.38810e+06   -7.52721e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10637e+02   -2.10975e+02    1.56438e+01    3.66608e-06

           Step           Time
      221615000   443230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69254e+03    1.84205e+04    1.22406e+04    1.06397e+03   -2.74076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37310e+03    1.03597e+05    2.79895e+05   -1.71800e+04   -2.15249e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20618e+04   -1.73307e+06    3.47065e+05   -1.38601e+06   -7.52898e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11477e+02   -2.11762e+02   -2.38821e+01    3.65719e-06

           Step           Time
      221620000   443240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39811e+03    1.85690e+04    1.24918e+04    1.16949e+03   -2.96749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45736e+03    1.03408e+05    2.80913e+05   -1.71410e+04   -2.15638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20763e+04   -1.73601e+06    3.45496e+05   -1.39051e+06   -7.52064e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10070e+02   -2.10804e+02   -4.73803e+01    3.43479e-06

           Step           Time
      221625000   443250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45596e+03    1.78406e+04    1.24381e+04    1.10062e+03   -2.92884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50269e+03    1.04073e+05    2.81080e+05   -1.72002e+04   -2.15742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20583e+04   -1.73700e+06    3.45669e+05   -1.39134e+06   -7.51839e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10225e+02   -2.12260e+02   -1.96793e+01    3.48728e-06

           Step           Time
      221630000   443260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29949e+03    1.80568e+04    1.22467e+04    1.10443e+03   -2.87423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55794e+03    1.04484e+05    2.79103e+05   -1.71909e+04   -2.15266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19487e+04   -1.73392e+06    3.43863e+05   -1.39006e+06   -7.51659e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08604e+02   -2.12030e+02    2.77024e+01    3.58384e-06

           Step           Time
      221635000   443270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54376e+03    1.81156e+04    1.23198e+04    1.07480e+03   -2.94223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52889e+03    1.04728e+05    2.82285e+05   -1.71469e+04   -2.15889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19158e+04   -1.73647e+06    3.45861e+05   -1.39061e+06   -7.51138e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10397e+02   -2.10947e+02    1.34507e+01    3.53288e-06

           Step           Time
      221640000   443280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37506e+03    1.80408e+04    1.23913e+04    1.09957e+03   -2.90204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45038e+03    1.03894e+05    2.78307e+05   -1.71998e+04   -2.15443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21479e+04   -1.73682e+06    3.46239e+05   -1.39058e+06   -7.51591e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10736e+02   -2.12251e+02   -8.37459e+01    3.60706e-06

           Step           Time
      221645000   443290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89024e+03    1.82357e+04    1.23605e+04    1.03696e+03   -2.98225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37276e+03    1.03487e+05    2.82238e+05   -1.72322e+04   -2.15541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21374e+04   -1.73387e+06    3.45322e+05   -1.38855e+06   -7.50719e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09913e+02   -2.13049e+02    5.08578e+01    3.54792e-06

           Step           Time
      221650000   443300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46524e+03    1.78800e+04    1.22317e+04    1.04193e+03   -2.92571e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46432e+03    1.04139e+05    2.81625e+05   -1.71797e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19610e+04   -1.73636e+06    3.48156e+05   -1.38820e+06   -7.50864e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12456e+02   -2.11754e+02    2.24426e+01    3.58911e-06

           Step           Time
      221655000   443310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41713e+03    1.87284e+04    1.23421e+04    1.07184e+03   -2.90156e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46082e+03    1.03921e+05    2.81349e+05   -1.72255e+04   -2.15501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20172e+04   -1.73383e+06    3.45305e+05   -1.38852e+06   -7.50156e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09898e+02   -2.12884e+02    7.21398e+01    3.71359e-06

           Step           Time
      221660000   443320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65079e+03    1.84709e+04    1.23599e+04    1.05541e+03   -2.88593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39021e+03    1.03717e+05    2.81998e+05   -1.71855e+04   -2.15773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19415e+04   -1.73622e+06    3.48726e+05   -1.38749e+06   -7.50168e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12968e+02   -2.11899e+02    2.60127e+01    3.51711e-06

           Step           Time
      221665000   443330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54766e+03    1.81362e+04    1.25395e+04    1.04027e+03   -2.91163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45696e+03    1.04034e+05    2.79638e+05   -1.71775e+04   -2.15383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19595e+04   -1.73457e+06    3.46212e+05   -1.38836e+06   -7.49782e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10712e+02   -2.11701e+02   -1.11943e+02    3.73950e-06

           Step           Time
      221670000   443340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55916e+03    1.83754e+04    1.22772e+04    1.01077e+03   -2.89857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40913e+03    1.04046e+05    2.80990e+05   -1.71908e+04   -2.15546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19640e+04   -1.73492e+06    3.46649e+05   -1.38827e+06   -7.49616e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11104e+02   -2.12028e+02   -4.78100e+01    3.57608e-06

           Step           Time
      221675000   443350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54993e+03    1.80306e+04    1.25327e+04    1.02879e+03   -2.86912e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48823e+03    1.04001e+05    2.82885e+05   -1.72027e+04   -2.16027e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18590e+04   -1.73797e+06    3.45313e+05   -1.39266e+06   -7.49081e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09905e+02   -2.12321e+02    6.59367e+01    3.60074e-06

           Step           Time
      221680000   443360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49397e+03    1.83238e+04    1.23892e+04    1.09964e+03   -2.87057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39840e+03    1.03630e+05    2.80143e+05   -1.72067e+04   -2.15280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21314e+04   -1.73327e+06    3.46521e+05   -1.38675e+06   -7.48926e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10989e+02   -2.12419e+02    1.92479e+00    3.61839e-06

           Step           Time
      221685000   443370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57475e+03    1.82967e+04    1.25081e+04    1.09354e+03   -2.83264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46870e+03    1.04015e+05    2.81860e+05   -1.71537e+04   -2.15448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21162e+04   -1.73253e+06    3.46005e+05   -1.38653e+06   -7.48514e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10526e+02   -2.11115e+02    9.21023e+01    3.59217e-06

           Step           Time
      221690000   443380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30064e+03    1.84836e+04    1.22729e+04    1.12743e+03   -2.85516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48805e+03    1.03501e+05    2.82535e+05   -1.71807e+04   -2.15725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19571e+04   -1.73562e+06    3.47258e+05   -1.38836e+06   -7.49091e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11651e+02   -2.11779e+02    6.94468e+01    3.65986e-06

           Step           Time
      221695000   443390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26474e+03    1.89012e+04    1.24667e+04    1.10293e+03   -2.92392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42940e+03    1.04224e+05    2.80722e+05   -1.71845e+04   -2.15644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20583e+04   -1.73538e+06    3.47764e+05   -1.38762e+06   -7.48254e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12104e+02   -2.11874e+02   -1.89513e+01    3.75431e-06

           Step           Time
      221700000   443400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67276e+03    1.85626e+04    1.22441e+04    1.10307e+03   -2.91942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39012e+03    1.04138e+05    2.80221e+05   -1.72004e+04   -2.15545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20028e+04   -1.73524e+06    3.46954e+05   -1.38829e+06   -7.47775e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11378e+02   -2.12265e+02   -4.86092e+01    3.45558e-06

           Step           Time
      221705000   443410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61275e+03    1.85688e+04    1.22894e+04    1.06988e+03   -2.89951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36072e+03    1.04053e+05    2.81641e+05   -1.71929e+04   -2.15658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18270e+04   -1.73525e+06    3.46039e+05   -1.38921e+06   -7.47676e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10557e+02   -2.12080e+02   -4.83843e+01    3.64467e-06

           Step           Time
      221710000   443420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54923e+03    1.84390e+04    1.23779e+04    1.04268e+03   -2.75048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39889e+03    1.04239e+05    2.81168e+05   -1.71811e+04   -2.15703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18636e+04   -1.73589e+06    3.45239e+05   -1.39065e+06   -7.47615e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09839e+02   -2.11791e+02   -2.17324e+01    3.47106e-06

           Step           Time
      221715000   443430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55886e+03    1.81940e+04    1.22384e+04    1.07522e+03   -2.82243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53186e+03    1.04180e+05    2.84005e+05   -1.72171e+04   -2.16091e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20895e+04   -1.73707e+06    3.46166e+05   -1.39091e+06   -7.47326e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10670e+02   -2.12676e+02    1.65178e+02    3.74145e-06

           Step           Time
      221720000   443440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53405e+03    1.80635e+04    1.24151e+04    1.05895e+03   -2.76014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55218e+03    1.04385e+05    2.79427e+05   -1.72409e+04   -2.15639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19466e+04   -1.73700e+06    3.45747e+05   -1.39126e+06   -7.47161e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10294e+02   -2.13265e+02   -3.19518e+01    3.60407e-06

           Step           Time
      221725000   443450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25494e+03    1.79718e+04    1.23498e+04    1.12776e+03   -2.65395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57441e+03    1.04320e+05    2.80408e+05   -1.72016e+04   -2.15584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19813e+04   -1.73571e+06    3.46322e+05   -1.38939e+06   -7.46950e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10810e+02   -2.12294e+02   -6.27225e-02    3.55046e-06

           Step           Time
      221730000   443460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45776e+03    1.86675e+04    1.25178e+04    1.05053e+03   -2.98770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50385e+03    1.04328e+05    2.79891e+05   -1.71862e+04   -2.15286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20099e+04   -1.73260e+06    3.47955e+05   -1.38465e+06   -7.46785e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12276e+02   -2.11915e+02    6.03042e+01    3.57411e-06

           Step           Time
      221735000   443470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30079e+03    1.83972e+04    1.24225e+04    1.10974e+03   -2.81361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58287e+03    1.04193e+05    2.82775e+05   -1.71906e+04   -2.15650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21154e+04   -1.73361e+06    3.45813e+05   -1.38780e+06   -7.46010e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10354e+02   -2.12024e+02    1.22831e+02    3.70728e-06

           Step           Time
      221740000   443480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67646e+03    1.82514e+04    1.22648e+04    1.17009e+03   -2.93497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55062e+03    1.04808e+05    2.82276e+05   -1.72051e+04   -2.15730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18780e+04   -1.73456e+06    3.48308e+05   -1.38626e+06   -7.45931e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12593e+02   -2.12380e+02    7.42463e+01    3.62268e-06

           Step           Time
      221745000   443490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44137e+03    1.80520e+04    1.22934e+04    1.07438e+03   -2.79328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56908e+03    1.04586e+05    2.80179e+05   -1.72149e+04   -2.15525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20572e+04   -1.73500e+06    3.47813e+05   -1.38719e+06   -7.45805e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12149e+02   -2.12623e+02    7.42931e+01    3.56508e-06

           Step           Time
      221750000   443500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67613e+03    1.85088e+04    1.25326e+04    1.18404e+03   -2.87069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44603e+03    1.04395e+05    2.78651e+05   -1.72204e+04   -2.15367e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19074e+04   -1.73446e+06    3.47856e+05   -1.38661e+06   -7.45302e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12187e+02   -2.12758e+02   -3.74661e+01    3.50365e-06

           Step           Time
      221755000   443510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70916e+03    1.82042e+04    1.23678e+04    1.07696e+03   -2.94743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53753e+03    1.04352e+05    2.80288e+05   -1.71941e+04   -2.15348e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20082e+04   -1.73308e+06    3.45096e+05   -1.38798e+06   -7.44958e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09711e+02   -2.12110e+02    8.18915e+00    3.60430e-06

           Step           Time
      221760000   443520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58368e+03    1.81973e+04    1.23894e+04    1.05841e+03   -2.88791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32453e+03    1.04370e+05    2.82749e+05   -1.72137e+04   -2.15935e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20369e+04   -1.73674e+06    3.47705e+05   -1.38903e+06   -7.44661e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12052e+02   -2.12594e+02    2.33577e+01    3.79052e-06

           Step           Time
      221765000   443530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53263e+03    1.80686e+04    1.22785e+04    1.12857e+03   -2.89481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51989e+03    1.04549e+05    2.82036e+05   -1.71863e+04   -2.15682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20480e+04   -1.73474e+06    3.45995e+05   -1.38875e+06   -7.44276e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10517e+02   -2.11919e+02    1.09628e+02    3.50694e-06

           Step           Time
      221770000   443540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58983e+03    1.80045e+04    1.22707e+04    1.04930e+03   -2.87629e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40782e+03    1.04690e+05    2.80380e+05   -1.71504e+04   -2.15462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19058e+04   -1.73435e+06    3.44568e+05   -1.38978e+06   -7.43748e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09237e+02   -2.11035e+02   -3.52372e+01    3.63867e-06

           Step           Time
      221775000   443550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32573e+03    1.80187e+04    1.23511e+04    1.15126e+03   -2.83612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46952e+03    1.04218e+05    2.82212e+05   -1.71656e+04   -2.15714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19806e+04   -1.73542e+06    3.46131e+05   -1.38929e+06   -7.43609e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10639e+02   -2.11408e+02    5.87701e+01    3.69578e-06

           Step           Time
      221780000   443560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63193e+03    1.82171e+04    1.23558e+04    1.12893e+03   -2.89934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53672e+03    1.04055e+05    2.81023e+05   -1.72111e+04   -2.15430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18278e+04   -1.73363e+06    3.46242e+05   -1.38739e+06   -7.43294e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10739e+02   -2.12530e+02    7.90066e+01    3.55039e-06

           Step           Time
      221785000   443570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27128e+03    1.79913e+04    1.25800e+04    1.11214e+03   -2.71934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56931e+03    1.04429e+05    2.79062e+05   -1.71726e+04   -2.15357e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19263e+04   -1.73452e+06    3.45550e+05   -1.38897e+06   -7.43280e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10118e+02   -2.11581e+02    3.15947e+01    3.58503e-06

           Step           Time
      221790000   443580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31643e+03    1.90244e+04    1.22561e+04    1.05693e+03   -2.93346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46560e+03    1.04312e+05    2.80100e+05   -1.72039e+04   -2.15433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21877e+04   -1.73375e+06    3.45879e+05   -1.38787e+06   -7.42311e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10413e+02   -2.12353e+02   -3.96114e+01    3.65330e-06

           Step           Time
      221795000   443590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25924e+03    1.86601e+04    1.24299e+04    1.14591e+03   -2.90877e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50126e+03    1.03733e+05    2.80221e+05   -1.71947e+04   -2.15397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19684e+04   -1.73415e+06    3.47370e+05   -1.38678e+06   -7.42526e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11751e+02   -2.12125e+02    3.52148e+01    3.88735e-06

           Step           Time
      221800000   443600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59936e+03    1.82824e+04    1.24886e+04    1.07739e+03   -2.90234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.30270e+03    1.04072e+05    2.80573e+05   -1.71771e+04   -2.15544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21747e+04   -1.73494e+06    3.46427e+05   -1.38852e+06   -7.41709e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10905e+02   -2.11692e+02   -5.65642e+01    3.79423e-06

           Step           Time
      221805000   443610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58685e+03    1.84234e+04    1.23724e+04    1.11063e+03   -2.88239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43086e+03    1.04375e+05    2.83983e+05   -1.72456e+04   -2.15961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19164e+04   -1.73553e+06    3.48746e+05   -1.38679e+06   -7.41159e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12986e+02   -2.13381e+02    1.38908e+02    3.70357e-06

           Step           Time
      221810000   443620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65438e+03    1.81960e+04    1.24293e+04    1.01594e+03   -2.80655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51936e+03    1.03927e+05    2.80264e+05   -1.72095e+04   -2.15484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21607e+04   -1.73469e+06    3.46802e+05   -1.38789e+06   -7.40806e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11241e+02   -2.12490e+02    1.25288e+00    3.56981e-06

           Step           Time
      221815000   443630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34746e+03    1.84094e+04    1.22201e+04    1.19289e+03   -2.87777e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50342e+03    1.03951e+05    2.80499e+05   -1.71766e+04   -2.15366e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19857e+04   -1.73361e+06    3.46782e+05   -1.38683e+06   -7.40504e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11224e+02   -2.11679e+02    1.65560e+01    3.61102e-06

           Step           Time
      221820000   443640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34445e+03    1.83607e+04    1.24211e+04    1.07695e+03   -2.86493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57516e+03    1.04257e+05    2.79801e+05   -1.72085e+04   -2.15594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19049e+04   -1.73628e+06    3.46561e+05   -1.38972e+06   -7.40378e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11025e+02   -2.12465e+02   -4.23528e+01    3.59980e-06

           Step           Time
      221825000   443650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41044e+03    1.82903e+04    1.25145e+04    1.09167e+03   -2.94948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56823e+03    1.03895e+05    2.79820e+05   -1.71996e+04   -2.15579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19917e+04   -1.73636e+06    3.46718e+05   -1.38964e+06   -7.39926e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11166e+02   -2.12245e+02   -4.63558e+01    3.61925e-06

           Step           Time
      221830000   443660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44725e+03    1.81770e+04    1.24385e+04    1.09460e+03   -2.89118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45304e+03    1.03930e+05    2.83752e+05   -1.71946e+04   -2.16074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20364e+04   -1.73750e+06    3.46035e+05   -1.39146e+06   -7.39532e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10553e+02   -2.12122e+02    4.19272e+01    3.57891e-06

           Step           Time
      221835000   443670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80033e+03    1.81842e+04    1.25816e+04    1.09580e+03   -2.87579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43922e+03    1.04210e+05    2.79492e+05   -1.71999e+04   -2.15415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19378e+04   -1.73448e+06    3.45306e+05   -1.38918e+06   -7.39491e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09899e+02   -2.12253e+02   -1.09770e+02    3.59700e-06

           Step           Time
      221840000   443680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21792e+03    1.85181e+04    1.25168e+04    1.01719e+03   -2.83197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47227e+03    1.04368e+05    2.81517e+05   -1.72038e+04   -2.15658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18967e+04   -1.73510e+06    3.45190e+05   -1.38991e+06   -7.39060e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09794e+02   -2.12350e+02    1.10729e+02    3.64868e-06

           Step           Time
      221845000   443690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61073e+03    1.82838e+04    1.22466e+04    1.09926e+03   -2.80776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43766e+03    1.04480e+05    2.80032e+05   -1.71740e+04   -2.15516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18227e+04   -1.73513e+06    3.46543e+05   -1.38858e+06   -7.38900e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11009e+02   -2.11615e+02   -6.89739e+01    3.74002e-06

           Step           Time
      221850000   443700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56354e+03    1.84413e+04    1.22436e+04    1.04709e+03   -2.70911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42318e+03    1.04354e+05    2.82432e+05   -1.72389e+04   -2.16047e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20010e+04   -1.73791e+06    3.46814e+05   -1.39110e+06   -7.38674e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11252e+02   -2.13214e+02    5.20732e+01    3.61153e-06

           Step           Time
      221855000   443710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47619e+03    1.79958e+04    1.23880e+04    1.07330e+03   -2.92487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47637e+03    1.04249e+05    2.77816e+05   -1.72000e+04   -2.15034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20130e+04   -1.73298e+06    3.45561e+05   -1.38742e+06   -7.38466e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10128e+02   -2.12255e+02   -8.44366e+01    3.78468e-06

           Step           Time
      221860000   443720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71880e+03    1.85599e+04    1.24736e+04    1.06121e+03   -3.01012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42284e+03    1.03843e+05    2.82543e+05   -1.71586e+04   -2.15694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18177e+04   -1.73467e+06    3.47551e+05   -1.38712e+06   -7.37828e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11913e+02   -2.11237e+02   -7.95640e+00    3.61380e-06

           Step           Time
      221865000   443730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57684e+03    1.86101e+04    1.23370e+04    1.02242e+03   -2.83890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43132e+03    1.03898e+05    2.78739e+05   -1.72013e+04   -2.15426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20431e+04   -1.73564e+06    3.46940e+05   -1.38870e+06   -7.37644e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11365e+02   -2.12287e+02   -4.97618e+01    3.64355e-06

           Step           Time
      221870000   443740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50844e+03    1.86111e+04    1.23223e+04    1.09677e+03   -2.88768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46642e+03    1.04085e+05    2.80726e+05   -1.71866e+04   -2.15442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19975e+04   -1.73368e+06    3.46479e+05   -1.38720e+06   -7.37002e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10951e+02   -2.11925e+02    8.79970e+01    3.76152e-06

           Step           Time
      221875000   443750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51637e+03    1.83074e+04    1.24722e+04    1.06523e+03   -2.81116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62170e+03    1.04204e+05    2.78574e+05   -1.71928e+04   -2.15223e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19762e+04   -1.73350e+06    3.47841e+05   -1.38566e+06   -7.37154e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12173e+02   -2.12079e+02   -1.94203e+01    3.81414e-06

           Step           Time
      221880000   443760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35293e+03    1.84256e+04    1.24412e+04    1.16366e+03   -2.85183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51075e+03    1.03704e+05    2.83039e+05   -1.71667e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19948e+04   -1.73444e+06    3.46595e+05   -1.38785e+06   -7.36542e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11056e+02   -2.11434e+02    9.46882e+01    3.48310e-06

           Step           Time
      221885000   443770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67622e+03    1.85902e+04    1.22112e+04    1.10989e+03   -2.87965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48145e+03    1.03974e+05    2.82970e+05   -1.71649e+04   -2.15645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21215e+04   -1.73336e+06    3.45776e+05   -1.38758e+06   -7.36432e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10320e+02   -2.11392e+02    1.38094e+02    3.77056e-06

           Step           Time
      221890000   443780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62519e+03    1.85205e+04    1.25137e+04    1.03738e+03   -2.92438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60496e+03    1.04173e+05    2.81175e+05   -1.71926e+04   -2.15523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19149e+04   -1.73379e+06    3.45113e+05   -1.38867e+06   -7.35659e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09725e+02   -2.12073e+02    6.81716e+01    3.53602e-06

           Step           Time
      221895000   443790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49760e+03    1.83061e+04    1.25704e+04    1.02593e+03   -2.97052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37986e+03    1.04445e+05    2.80605e+05   -1.71630e+04   -2.15518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17889e+04   -1.73470e+06    3.48316e+05   -1.38638e+06   -7.36156e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12600e+02   -2.11345e+02   -7.16736e+01    3.56427e-06

           Step           Time
      221900000   443800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75648e+03    1.81663e+04    1.22645e+04    1.08721e+03   -2.81836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49845e+03    1.03994e+05    2.80800e+05   -1.72268e+04   -2.15517e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20768e+04   -1.73457e+06    3.45380e+05   -1.38919e+06   -7.35259e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09965e+02   -2.12917e+02    4.64100e+01    3.52579e-06

           Step           Time
      221905000   443810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43453e+03    1.85685e+04    1.24286e+04    1.11606e+03   -2.80388e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41969e+03    1.03414e+05    2.82443e+05   -1.71783e+04   -2.15762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20335e+04   -1.73574e+06    3.46978e+05   -1.38876e+06   -7.35189e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11399e+02   -2.11720e+02    4.53957e+00    3.49258e-06

           Step           Time
      221910000   443820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38885e+03    1.81893e+04    1.22637e+04    1.01443e+03   -2.86921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52298e+03    1.04104e+05    2.79374e+05   -1.72276e+04   -2.15445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18822e+04   -1.73580e+06    3.46619e+05   -1.38918e+06   -7.35436e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11077e+02   -2.12937e+02   -5.60870e-01    3.64259e-06

           Step           Time
      221915000   443830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55464e+03    1.86352e+04    1.24507e+04    1.01441e+03   -2.84294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57993e+03    1.03778e+05    2.80605e+05   -1.71866e+04   -2.15704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20052e+04   -1.73645e+06    3.47585e+05   -1.38887e+06   -7.34821e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11944e+02   -2.11924e+02   -5.72804e+01    3.56245e-06

           Step           Time
      221920000   443840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46866e+03    1.85162e+04    1.23578e+04    1.08168e+03   -2.97520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63179e+03    1.04361e+05    2.82048e+05   -1.71904e+04   -2.15529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19371e+04   -1.73305e+06    3.47681e+05   -1.38537e+06   -7.34394e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12030e+02   -2.12019e+02    1.56339e+02    3.64153e-06

           Step           Time
      221925000   443850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50935e+03    1.84843e+04    1.23353e+04    9.99251e+02   -2.84612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41805e+03    1.03653e+05    2.82023e+05   -1.72343e+04   -2.15958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19341e+04   -1.73830e+06    3.47178e+05   -1.39113e+06   -7.34404e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11579e+02   -2.13102e+02    1.56961e+01    3.79699e-06

           Step           Time
      221930000   443860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42190e+03    1.79422e+04    1.24922e+04    1.06530e+03   -2.86219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49526e+03    1.04559e+05    2.80293e+05   -1.71916e+04   -2.15572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20768e+04   -1.73543e+06    3.46058e+05   -1.38937e+06   -7.33772e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10574e+02   -2.12048e+02   -2.94446e+00    3.62935e-06

           Step           Time
      221935000   443870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59997e+03    1.82876e+04    1.22147e+04    1.05741e+03   -2.74618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43384e+03    1.03944e+05    2.79791e+05   -1.71932e+04   -2.15647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19405e+04   -1.73714e+06    3.47841e+05   -1.38930e+06   -7.33848e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12174e+02   -2.12088e+02   -8.22742e+01    3.59022e-06

           Step           Time
      221940000   443880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36223e+03    1.83096e+04    1.24686e+04    1.04510e+03   -2.85814e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48546e+03    1.04094e+05    2.81442e+05   -1.71742e+04   -2.15762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19421e+04   -1.73650e+06    3.46188e+05   -1.39031e+06   -7.33505e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10690e+02   -2.11620e+02    2.13908e+01    3.72249e-06

           Step           Time
      221945000   443890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54483e+03    1.78575e+04    1.24643e+04    1.02445e+03   -2.88531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64859e+03    1.04253e+05    2.81835e+05   -1.72008e+04   -2.15850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19259e+04   -1.73703e+06    3.44493e+05   -1.39254e+06   -7.32820e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09169e+02   -2.12276e+02    6.07538e+01    3.58344e-06

           Step           Time
      221950000   443900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49937e+03    1.81028e+04    1.24855e+04    1.02864e+03   -2.80509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50457e+03    1.04308e+05    2.79728e+05   -1.71570e+04   -2.15393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21070e+04   -1.73413e+06    3.45459e+05   -1.38867e+06   -7.32732e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10036e+02   -2.11198e+02   -2.36399e+01    3.69935e-06

           Step           Time
      221955000   443910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58478e+03    1.83785e+04    1.23390e+04    1.07277e+03   -2.82989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32418e+03    1.04442e+05    2.82024e+05   -1.71852e+04   -2.15836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18130e+04   -1.73639e+06    3.47647e+05   -1.38875e+06   -7.32619e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11999e+02   -2.11891e+02   -1.22629e+01    3.58212e-06

           Step           Time
      221960000   443920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38078e+03    1.84704e+04    1.23406e+04    1.06009e+03   -2.85899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49972e+03    1.04108e+05    2.81730e+05   -1.71804e+04   -2.15653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19418e+04   -1.73504e+06    3.45426e+05   -1.38961e+06   -7.31992e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10007e+02   -2.11772e+02    2.67119e+01    3.62933e-06

           Step           Time
      221965000   443930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59364e+03    1.80428e+04    1.23162e+04    1.07988e+03   -2.75466e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46564e+03    1.04468e+05    2.79138e+05   -1.71915e+04   -2.15477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19601e+04   -1.73566e+06    3.45290e+05   -1.39037e+06   -7.31896e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09884e+02   -2.12047e+02   -7.68319e+01    3.66196e-06

           Step           Time
      221970000   443940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41517e+03    1.80630e+04    1.23871e+04    1.06029e+03   -2.85778e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51940e+03    1.03968e+05    2.82664e+05   -1.72773e+04   -2.15872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18646e+04   -1.73692e+06    3.45548e+05   -1.39137e+06   -7.31621e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10116e+02   -2.14164e+02    1.15958e+02    3.60755e-06

           Step           Time
      221975000   443950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76640e+03    1.82147e+04    1.24294e+04    1.15310e+03   -2.96311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46872e+03    1.03739e+05    2.80617e+05   -1.72046e+04   -2.15406e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18923e+04   -1.73394e+06    3.47726e+05   -1.38622e+06   -7.31552e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12071e+02   -2.12368e+02    3.38815e+01    3.57280e-06

           Step           Time
      221980000   443960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25569e+03    1.81025e+04    1.23986e+04    1.09713e+03   -2.82537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61022e+03    1.03946e+05    2.81974e+05   -1.72103e+04   -2.15820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19686e+04   -1.73688e+06    3.46896e+05   -1.38998e+06   -7.31080e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11326e+02   -2.12510e+02    9.87902e+01    3.75683e-06

           Step           Time
      221985000   443970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63509e+03    1.82004e+04    1.24038e+04    1.07787e+03   -2.91468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53155e+03    1.04116e+05    2.81958e+05   -1.71953e+04   -2.15719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18733e+04   -1.73550e+06    3.46268e+05   -1.38923e+06   -7.30589e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10762e+02   -2.12139e+02    1.47264e+01    3.73392e-06

           Step           Time
      221990000   443980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37592e+03    1.84662e+04    1.23608e+04    1.07198e+03   -2.88902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55388e+03    1.04608e+05    2.82162e+05   -1.71899e+04   -2.15750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19979e+04   -1.73499e+06    3.46141e+05   -1.38885e+06   -7.30085e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10648e+02   -2.12006e+02    5.52020e+01    3.81381e-06

           Step           Time
      221995000   443990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62307e+03    1.76840e+04    1.22675e+04    1.20384e+03   -2.97155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62371e+03    1.04589e+05    2.80564e+05   -1.71953e+04   -2.15439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19684e+04   -1.73403e+06    3.46071e+05   -1.38796e+06   -7.30405e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10585e+02   -2.12139e+02    1.93252e+01    3.54404e-06

           Step           Time
      222000000   444000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61416e+03    1.82224e+04    1.23705e+04    1.04736e+03   -2.88082e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49319e+03    1.04034e+05    2.78838e+05   -1.71771e+04   -2.15210e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22586e+04   -1.73328e+06    3.46187e+05   -1.38709e+06   -7.30055e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10690e+02   -2.11691e+02   -7.09551e+01    3.70182e-06

           Step           Time
      222005000   444010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47106e+03    1.81909e+04    1.23695e+04    1.11415e+03   -2.87709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50743e+03    1.03952e+05    2.83183e+05   -1.72035e+04   -2.15785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18940e+04   -1.73525e+06    3.45911e+05   -1.38934e+06   -7.29789e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10442e+02   -2.12340e+02    9.15787e+01    3.62865e-06

           Step           Time
      222010000   444020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57974e+03    1.82397e+04    1.24127e+04    1.06562e+03   -2.76318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46861e+03    1.04355e+05    2.80993e+05   -1.72053e+04   -2.15561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19240e+04   -1.73454e+06    3.47807e+05   -1.38673e+06   -7.29701e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12143e+02   -2.12386e+02    3.04464e+01    3.63950e-06

           Step           Time
      222015000   444030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73105e+03    1.80200e+04    1.23095e+04    1.04152e+03   -2.79266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39110e+03    1.04647e+05    2.81576e+05   -1.71755e+04   -2.15643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19599e+04   -1.73472e+06    3.45609e+05   -1.38911e+06   -7.28984e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10171e+02   -2.11652e+02   -1.72932e+01    3.65480e-06

           Step           Time
      222020000   444040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36232e+03    1.84798e+04    1.22469e+04    1.08397e+03   -2.78595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54983e+03    1.04076e+05    2.80507e+05   -1.72168e+04   -2.15668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19187e+04   -1.73646e+06    3.46894e+05   -1.38957e+06   -7.28718e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11324e+02   -2.12671e+02    3.20031e+01    3.66663e-06

           Step           Time
      222025000   444050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45337e+03    1.82356e+04    1.25008e+04    1.10036e+03   -2.95690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47293e+03    1.04463e+05    2.82117e+05   -1.71707e+04   -2.15845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20229e+04   -1.73621e+06    3.46794e+05   -1.38942e+06   -7.28666e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11235e+02   -2.11535e+02    1.49756e+01    3.52036e-06

           Step           Time
      222030000   444060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58771e+03    1.84752e+04    1.24062e+04    1.07501e+03   -2.71789e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33785e+03    1.03915e+05    2.79663e+05   -1.71664e+04   -2.15354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20653e+04   -1.73389e+06    3.45596e+05   -1.38830e+06   -7.28001e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10159e+02   -2.11427e+02   -1.03121e+02    3.87235e-06

           Step           Time
      222035000   444070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40988e+03    1.80768e+04    1.23172e+04    1.09538e+03   -2.91600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67254e+03    1.04137e+05    2.80594e+05   -1.72239e+04   -2.15808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18934e+04   -1.73802e+06    3.44447e+05   -1.39357e+06   -7.27745e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09128e+02   -2.12844e+02   -2.20235e+01    3.37395e-06

           Step           Time
      222040000   444080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52663e+03    1.80240e+04    1.23184e+04    1.07609e+03   -2.91348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32752e+03    1.04373e+05    2.83273e+05   -1.72090e+04   -2.15599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19079e+04   -1.73328e+06    3.46536e+05   -1.38675e+06   -7.27989e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11002e+02   -2.12478e+02    1.47973e+02    3.69308e-06

           Step           Time
      222045000   444090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56170e+03    1.82655e+04    1.23058e+04    1.06221e+03   -2.82974e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38823e+03    1.03971e+05    2.82426e+05   -1.71969e+04   -2.16003e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20746e+04   -1.73800e+06    3.45508e+05   -1.39249e+06   -7.26720e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10080e+02   -2.12179e+02    1.93680e+01    3.62179e-06

           Step           Time
      222050000   444100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64093e+03    1.82365e+04    1.23126e+04    1.09244e+03   -2.86799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48403e+03    1.03762e+05    2.77351e+05   -1.71524e+04   -2.14986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19664e+04   -1.73304e+06    3.46422e+05   -1.38662e+06   -7.27192e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10901e+02   -2.11084e+02   -1.53504e+02    3.55443e-06

           Step           Time
      222055000   444110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44630e+03    1.80673e+04    1.24532e+04    1.13264e+03   -2.80237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56032e+03    1.03603e+05    2.80058e+05   -1.71628e+04   -2.15103e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20075e+04   -1.73166e+06    3.46917e+05   -1.38474e+06   -7.27229e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11345e+02   -2.11340e+02    3.84651e+00    3.63204e-06

           Step           Time
      222060000   444120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71640e+03    1.84784e+04    1.26102e+04    1.01402e+03   -2.99802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45604e+03    1.03763e+05    2.81805e+05   -1.71935e+04   -2.15709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20748e+04   -1.73536e+06    3.47056e+05   -1.38831e+06   -7.26541e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11469e+02   -2.12095e+02    2.88550e+01    3.65457e-06

           Step           Time
      222065000   444130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76356e+03    1.83748e+04    1.24432e+04    1.13607e+03   -2.74723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44551e+03    1.03537e+05    2.80047e+05   -1.72079e+04   -2.15480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18312e+04   -1.73517e+06    3.46608e+05   -1.38856e+06   -7.26250e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11068e+02   -2.12449e+02    1.37748e+00    3.57854e-06

           Step           Time
      222070000   444140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77356e+03    1.82358e+04    1.24172e+04    1.09549e+03   -2.89577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42666e+03    1.03637e+05    2.82452e+05   -1.72243e+04   -2.15631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20734e+04   -1.73432e+06    3.47596e+05   -1.38673e+06   -7.26296e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11954e+02   -2.12854e+02    1.05779e+02    3.69989e-06

           Step           Time
      222075000   444150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76936e+03    1.83749e+04    1.24555e+04    1.01027e+03   -2.86870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43103e+03    1.03290e+05    2.81424e+05   -1.71990e+04   -2.15637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18976e+04   -1.73579e+06    3.47586e+05   -1.38820e+06   -7.25652e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11945e+02   -2.12232e+02   -5.40630e+01    3.57766e-06

           Step           Time
      222080000   444160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54215e+03    1.83567e+04    1.24309e+04    1.05810e+03   -2.90951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45272e+03    1.03689e+05    2.83237e+05   -1.71767e+04   -2.15860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20165e+04   -1.73590e+06    3.46734e+05   -1.38917e+06   -7.25498e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11180e+02   -2.11682e+02    5.00691e+01    3.60154e-06

           Step           Time
      222085000   444170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54648e+03    1.83214e+04    1.21997e+04    1.16053e+03   -2.79077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59922e+03    1.04075e+05    2.80632e+05   -1.72590e+04   -2.15650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19458e+04   -1.73607e+06    3.47845e+05   -1.38822e+06   -7.25419e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12177e+02   -2.13713e+02    1.01706e+02    3.53919e-06

           Step           Time
      222090000   444180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36250e+03    1.86053e+04    1.23639e+04    1.13413e+03   -2.90561e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48807e+03    1.03920e+05    2.82479e+05   -1.71842e+04   -2.15640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19649e+04   -1.73418e+06    3.47091e+05   -1.38708e+06   -7.24831e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11501e+02   -2.11865e+02    8.38634e+01    3.64656e-06

           Step           Time
      222095000   444190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55874e+03    1.83900e+04    1.23756e+04    1.07358e+03   -2.77857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56580e+03    1.03340e+05    2.82113e+05   -1.72104e+04   -2.15656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20202e+04   -1.73511e+06    3.46676e+05   -1.38844e+06   -7.24546e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11128e+02   -2.12512e+02    8.31887e+01    3.62751e-06

           Step           Time
      222100000   444200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20124e+03    1.81519e+04    1.22906e+04    1.16857e+03   -2.94854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60469e+03    1.03790e+05    2.78394e+05   -1.71880e+04   -2.15237e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19002e+04   -1.73501e+06    3.46036e+05   -1.38897e+06   -7.24682e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10553e+02   -2.11960e+02    2.50694e+01    3.52314e-06

           Step           Time
      222105000   444210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58634e+03    1.79774e+04    1.22951e+04    1.07968e+03   -2.85472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43931e+03    1.04339e+05    2.80518e+05   -1.72152e+04   -2.15630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20596e+04   -1.73608e+06    3.46403e+05   -1.38968e+06   -7.24158e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10884e+02   -2.12630e+02   -1.66942e+01    3.65521e-06

           Step           Time
      222110000   444220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49156e+03    1.82531e+04    1.24295e+04    1.02356e+03   -2.85246e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60775e+03    1.03801e+05    2.82853e+05   -1.71823e+04   -2.15885e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18405e+04   -1.73658e+06    3.48052e+05   -1.38853e+06   -7.23802e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12363e+02   -2.11820e+02    1.17875e+02    3.53356e-06

           Step           Time
      222115000   444230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35173e+03    1.80714e+04    1.23798e+04    1.11553e+03   -2.87130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39313e+03    1.04112e+05    2.80511e+05   -1.71460e+04   -2.15588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20639e+04   -1.73590e+06    3.44491e+05   -1.39141e+06   -7.23478e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09168e+02   -2.10926e+02   -6.59868e+01    3.50106e-06

           Step           Time
      222120000   444240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36802e+03    1.83476e+04    1.23379e+04    1.03391e+03   -2.99040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55657e+03    1.03866e+05    2.81758e+05   -1.72315e+04   -2.15818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19910e+04   -1.73714e+06    3.46353e+05   -1.39079e+06   -7.23075e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10839e+02   -2.13034e+02    3.86342e+01    3.53406e-06

           Step           Time
      222125000   444250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61842e+03    1.79474e+04    1.23372e+04    1.13603e+03   -2.83865e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45385e+03    1.03757e+05    2.80467e+05   -1.72046e+04   -2.15579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21074e+04   -1.73601e+06    3.46688e+05   -1.38932e+06   -7.23034e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11139e+02   -2.12369e+02    1.48767e+01    3.69440e-06

           Step           Time
      222130000   444260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55492e+03    1.85557e+04    1.24763e+04    9.91336e+02   -2.96367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50118e+03    1.03581e+05    2.78042e+05   -1.71857e+04   -2.15254e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19906e+04   -1.73499e+06    3.46861e+05   -1.38813e+06   -7.23049e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11294e+02   -2.11904e+02   -5.18404e+01    3.43360e-06

           Step           Time
      222135000   444270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63003e+03    1.82817e+04    1.24439e+04    1.08601e+03   -2.90902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47808e+03    1.03530e+05    2.82515e+05   -1.72013e+04   -2.15940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18087e+04   -1.73774e+06    3.45797e+05   -1.39194e+06   -7.22551e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10340e+02   -2.12286e+02   -4.12470e+01    3.50911e-06

           Step           Time
      222140000   444280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36911e+03    1.86402e+04    1.25495e+04    1.09374e+03   -2.80034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52684e+03    1.03349e+05    2.79897e+05   -1.71640e+04   -2.15196e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19969e+04   -1.73250e+06    3.45910e+05   -1.38659e+06   -7.22316e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10441e+02   -2.11369e+02    7.27407e+01    3.68124e-06

           Step           Time
      222145000   444290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58161e+03    1.84385e+04    1.23450e+04    1.01997e+03   -2.85783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38444e+03    1.03762e+05    2.81393e+05   -1.72259e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20354e+04   -1.73618e+06    3.46668e+05   -1.38951e+06   -7.21918e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11121e+02   -2.12894e+02    3.71789e+01    3.59798e-06

           Step           Time
      222150000   444300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50816e+03    1.83787e+04    1.23435e+04    1.05158e+03   -2.75060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42033e+03    1.03632e+05    2.77716e+05   -1.71279e+04   -2.14793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19079e+04   -1.73085e+06    3.45163e+05   -1.38568e+06   -7.21522e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09771e+02   -2.10483e+02   -1.00547e+02    3.73901e-06

           Step           Time
      222155000   444310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32400e+03    1.81537e+04    1.23907e+04    1.07798e+03   -2.89911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50983e+03    1.04373e+05    2.81269e+05   -1.71815e+04   -2.15676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19532e+04   -1.73578e+06    3.46464e+05   -1.38932e+06   -7.21444e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10938e+02   -2.11800e+02    9.04187e+00    3.58422e-06

           Step           Time
      222160000   444320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53794e+03    1.86201e+04    1.25436e+04    1.06732e+03   -2.90444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44259e+03    1.03360e+05    2.80201e+05   -1.72164e+04   -2.15454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19472e+04   -1.73494e+06    3.46464e+05   -1.38847e+06   -7.20901e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10938e+02   -2.12659e+02   -6.76344e+01    3.67302e-06

           Step           Time
      222165000   444330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62149e+03    1.80105e+04    1.25543e+04    1.07902e+03   -2.96869e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48162e+03    1.03770e+05    2.80424e+05   -1.72035e+04   -2.15524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19145e+04   -1.73555e+06    3.46554e+05   -1.38900e+06   -7.21225e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11018e+02   -2.12341e+02   -2.29878e+01    3.63045e-06

           Step           Time
      222170000   444340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51143e+03    1.83980e+04    1.23650e+04    1.07601e+03   -2.99584e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40617e+03    1.03672e+05    2.82331e+05   -1.72031e+04   -2.15650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19591e+04   -1.73498e+06    3.48761e+05   -1.38622e+06   -7.20735e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12999e+02   -2.12332e+02    6.74167e+01    3.83113e-06

           Step           Time
      222175000   444350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63219e+03    1.78510e+04    1.26095e+04    1.12016e+03   -3.04291e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45230e+03    1.03828e+05    2.83102e+05   -1.71935e+04   -2.16071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19703e+04   -1.73838e+06    3.46762e+05   -1.39162e+06   -7.21030e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11206e+02   -2.12096e+02   -1.68671e+01    3.56177e-06

           Step           Time
      222180000   444360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60947e+03    1.84040e+04    1.24168e+04    1.02842e+03   -3.10724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47827e+03    1.03360e+05    2.82608e+05   -1.72039e+04   -2.15737e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20511e+04   -1.73573e+06    3.46089e+05   -1.38964e+06   -7.20302e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10602e+02   -2.12351e+02    3.91866e+01    3.69913e-06

           Step           Time
      222185000   444370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39918e+03    1.82000e+04    1.22873e+04    1.09315e+03   -2.85105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47843e+03    1.04007e+05    2.80026e+05   -1.71570e+04   -2.15568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18809e+04   -1.73632e+06    3.44652e+05   -1.39166e+06   -7.20006e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09312e+02   -2.11197e+02   -8.18995e+01    3.77107e-06

           Step           Time
      222190000   444380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43812e+03    1.82847e+04    1.23542e+04    1.10444e+03   -2.85418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54225e+03    1.03880e+05    2.82261e+05   -1.72524e+04   -2.15816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19319e+04   -1.73647e+06    3.46601e+05   -1.38987e+06   -7.19701e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11061e+02   -2.13548e+02    1.20615e+02    3.77110e-06

           Step           Time
      222195000   444390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56055e+03    1.84336e+04    1.25154e+04    1.07436e+03   -2.81663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50197e+03    1.03504e+05    2.81363e+05   -1.71558e+04   -2.15416e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18372e+04   -1.73334e+06    3.48073e+05   -1.38526e+06   -7.19744e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12382e+02   -2.11167e+02    4.08652e+00    3.69024e-06

           Step           Time
      222200000   444400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55986e+03    1.80608e+04    1.23707e+04    1.06246e+03   -2.97665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47499e+03    1.04242e+05    2.79513e+05   -1.72013e+04   -2.15325e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22810e+04   -1.73386e+06    3.45820e+05   -1.38805e+06   -7.19079e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10360e+02   -2.12287e+02   -6.31080e+01    3.64367e-06

           Step           Time
      222205000   444410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54817e+03    1.82445e+04    1.24569e+04    1.10402e+03   -2.86139e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49048e+03    1.03831e+05    2.79770e+05   -1.71733e+04   -2.15581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18960e+04   -1.73651e+06    3.46828e+05   -1.38968e+06   -7.19061e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11265e+02   -2.11597e+02   -1.46251e+02    3.64575e-06

           Step           Time
      222210000   444420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82506e+03    1.82973e+04    1.25121e+04    1.04394e+03   -2.95456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36572e+03    1.03563e+05    2.80615e+05   -1.71563e+04   -2.15419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20069e+04   -1.73407e+06    3.47310e+05   -1.38676e+06   -7.19041e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11698e+02   -2.11180e+02   -6.37737e+01    3.58335e-06

           Step           Time
      222215000   444430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35747e+03    1.84072e+04    1.24261e+04    1.07649e+03   -2.87007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45350e+03    1.04023e+05    2.81688e+05   -1.71757e+04   -2.15558e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20648e+04   -1.73413e+06    3.46045e+05   -1.38809e+06   -7.18461e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10562e+02   -2.11656e+02   -1.90222e+01    3.53217e-06

           Step           Time
      222220000   444440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42095e+03    1.84186e+04    1.23503e+04    1.09520e+03   -2.80534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52684e+03    1.04011e+05    2.79057e+05   -1.71976e+04   -2.15292e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22142e+04   -1.73383e+06    3.46008e+05   -1.38783e+06   -7.18319e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10528e+02   -2.12196e+02    5.58353e-01    3.54756e-06

           Step           Time
      222225000   444450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52463e+03    1.79431e+04    1.22916e+04    1.05985e+03   -2.75328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46794e+03    1.04351e+05    2.82417e+05   -1.72106e+04   -2.15980e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19339e+04   -1.73777e+06    3.45724e+05   -1.39205e+06   -7.17689e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10274e+02   -2.12516e+02    4.20631e+01    3.59517e-06

           Step           Time
      222230000   444460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52480e+03    1.83489e+04    1.21833e+04    1.09029e+03   -2.83375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53588e+03    1.04420e+05    2.81024e+05   -1.72107e+04   -2.15507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20196e+04   -1.73396e+06    3.46531e+05   -1.38743e+06   -7.17332e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10998e+02   -2.12519e+02    7.71444e+01    3.48625e-06

           Step           Time
      222235000   444470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37226e+03    1.79120e+04    1.26009e+04    1.15618e+03   -2.91275e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44571e+03    1.04210e+05    2.80024e+05   -1.71755e+04   -2.15486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19861e+04   -1.73524e+06    3.47062e+05   -1.38818e+06   -7.17452e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11474e+02   -2.11651e+02   -2.86191e+01    3.64656e-06

           Step           Time
      222240000   444480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60151e+03    1.82858e+04    1.25800e+04    1.07284e+03   -2.83561e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49640e+03    1.04130e+05    2.79466e+05   -1.71998e+04   -2.15364e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20394e+04   -1.73401e+06    3.46032e+05   -1.38798e+06   -7.16564e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10550e+02   -2.12249e+02   -8.00985e+00    3.61330e-06

           Step           Time
      222245000   444490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58215e+03    1.77092e+04    1.24380e+04    1.10526e+03   -2.87991e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56598e+03    1.04232e+05    2.82271e+05   -1.71819e+04   -2.15753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20653e+04   -1.73562e+06    3.44993e+05   -1.39063e+06   -7.15999e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09617e+02   -2.11811e+02    6.77509e+01    3.50842e-06

           Step           Time
      222250000   444500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50736e+03    1.84038e+04    1.25240e+04    1.21076e+03   -2.98768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54590e+03    1.04533e+05    2.80869e+05   -1.72004e+04   -2.15404e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20237e+04   -1.73261e+06    3.48813e+05   -1.38380e+06   -7.16189e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13046e+02   -2.12266e+02    6.92983e+01    3.68789e-06

           Step           Time
      222255000   444510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61419e+03    1.83076e+04    1.25289e+04    1.03505e+03   -2.89331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53093e+03    1.04082e+05    2.78573e+05   -1.71546e+04   -2.15219e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21268e+04   -1.73344e+06    3.46055e+05   -1.38738e+06   -7.15654e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10571e+02   -2.11138e+02   -8.96743e+01    3.48926e-06

           Step           Time
      222260000   444520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62538e+03    1.82229e+04    1.23942e+04    1.12036e+03   -2.83256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39019e+03    1.03998e+05    2.79546e+05   -1.72064e+04   -2.15253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18408e+04   -1.73343e+06    3.47353e+05   -1.38607e+06   -7.15459e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11736e+02   -2.12412e+02   -5.87989e+01    3.48113e-06

           Step           Time
      222265000   444530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68036e+03    1.80915e+04    1.24756e+04    1.14545e+03   -2.92156e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41885e+03    1.04030e+05    2.81013e+05   -1.72045e+04   -2.15568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19269e+04   -1.73502e+06    3.47232e+05   -1.38779e+06   -7.15339e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11627e+02   -2.12367e+02   -6.53301e+01    3.59597e-06

           Step           Time
      222270000   444540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65326e+03    1.86187e+04    1.24680e+04    1.01882e+03   -2.76793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40128e+03    1.03982e+05    2.81582e+05   -1.71837e+04   -2.15508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20849e+04   -1.73322e+06    3.47036e+05   -1.38618e+06   -7.15152e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11451e+02   -2.11854e+02    4.23228e+01    3.61496e-06

           Step           Time
      222275000   444550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35284e+03    1.80888e+04    1.22869e+04    1.03160e+03   -2.86864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49493e+03    1.04143e+05    2.78950e+05   -1.71754e+04   -2.15551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18725e+04   -1.73734e+06    3.46903e+05   -1.39043e+06   -7.15340e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11332e+02   -2.11650e+02   -1.07822e+02    3.61185e-06

           Step           Time
      222280000   444560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39769e+03    1.83186e+04    1.22783e+04    1.15468e+03   -2.91368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39017e+03    1.04438e+05    2.81216e+05   -1.71936e+04   -2.15519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19833e+04   -1.73412e+06    3.46705e+05   -1.38742e+06   -7.14919e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11154e+02   -2.12097e+02    2.94974e+01    3.62463e-06

Writing checkpoint, step 222283700 at Fri Dec  1 18:53:07 2023


           Step           Time
      222285000   444570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31073e+03    1.80676e+04    1.23002e+04    1.07383e+03   -2.90339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51536e+03    1.04073e+05    2.78743e+05   -1.71909e+04   -2.15361e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19552e+04   -1.73567e+06    3.45155e+05   -1.39051e+06   -7.14560e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09763e+02   -2.12031e+02   -9.98542e+00    3.60773e-06

           Step           Time
      222290000   444580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54803e+03    1.81084e+04    1.23551e+04    1.03451e+03   -2.81023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33499e+03    1.03859e+05    2.79365e+05   -1.72280e+04   -2.15592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19305e+04   -1.73743e+06    3.46034e+05   -1.39139e+06   -7.14288e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10552e+02   -2.12946e+02   -6.23585e+01    3.66930e-06

           Step           Time
      222295000   444590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60364e+03    1.82032e+04    1.23623e+04    1.00572e+03   -2.76330e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51020e+03    1.03530e+05    2.81243e+05   -1.71970e+04   -2.15511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21147e+04   -1.73449e+06    3.46415e+05   -1.38808e+06   -7.13708e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10894e+02   -2.12182e+02   -9.38501e+00    3.41469e-06

           Step           Time
      222300000   444600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42906e+03    1.85864e+04    1.24361e+04    1.12410e+03   -2.84911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42961e+03    1.03769e+05    2.80033e+05   -1.72248e+04   -2.15402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18634e+04   -1.73442e+06    3.46883e+05   -1.38754e+06   -7.13531e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11314e+02   -2.12866e+02    3.47974e+01    3.66647e-06

           Step           Time
      222305000   444610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53798e+03    1.81721e+04    1.25562e+04    1.05189e+03   -2.91216e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53853e+03    1.03719e+05    2.79509e+05   -1.71837e+04   -2.15313e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17750e+04   -1.73436e+06    3.46293e+05   -1.38807e+06   -7.13472e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10784e+02   -2.11855e+02   -4.20060e+01    3.52971e-06

           Step           Time
      222310000   444620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29727e+03    1.83655e+04    1.24273e+04    1.01516e+03   -2.86086e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47822e+03    1.03871e+05    2.82133e+05   -1.72109e+04   -2.15666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20224e+04   -1.73512e+06    3.45097e+05   -1.39002e+06   -7.13070e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09711e+02   -2.12523e+02    5.18324e+01    3.64795e-06

           Step           Time
      222315000   444630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54538e+03    1.84495e+04    1.22157e+04    1.10125e+03   -2.83377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46833e+03    1.03468e+05    2.81632e+05   -1.71535e+04   -2.15502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20632e+04   -1.73406e+06    3.46614e+05   -1.38744e+06   -7.12709e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11073e+02   -2.11110e+02    3.15095e+01    3.64766e-06

           Step           Time
      222320000   444640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73004e+03    1.85023e+04    1.24107e+04    1.15737e+03   -2.76021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44579e+03    1.03582e+05    2.82931e+05   -1.72008e+04   -2.15906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18683e+04   -1.73639e+06    3.45937e+05   -1.39046e+06   -7.11575e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10465e+02   -2.12274e+02   -1.75792e+01    3.42711e-06

           Step           Time
      222325000   444650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48568e+03    1.83811e+04    1.24820e+04    1.09230e+03   -2.85424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51361e+03    1.03412e+05    2.80401e+05   -1.72042e+04   -2.15552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17991e+04   -1.73602e+06    3.46571e+05   -1.38945e+06   -7.11718e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11034e+02   -2.12360e+02   -6.24878e+00    3.71002e-06

           Step           Time
      222330000   444660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65798e+03    1.81896e+04    1.24832e+04    1.09455e+03   -2.85920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47232e+03    1.03775e+05    2.80191e+05   -1.71584e+04   -2.15276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19861e+04   -1.73293e+06    3.46197e+05   -1.38673e+06   -7.11482e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10698e+02   -2.11231e+02   -4.32521e+01    3.73527e-06

           Step           Time
      222335000   444670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42542e+03    1.82124e+04    1.22685e+04    1.13205e+03   -2.88232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50804e+03    1.04210e+05    2.78989e+05   -1.72049e+04   -2.15325e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19457e+04   -1.73465e+06    3.46522e+05   -1.38813e+06   -7.10949e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10990e+02   -2.12376e+02   -5.43352e+01    3.68243e-06

           Step           Time
      222340000   444680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21721e+03    1.79620e+04    1.23544e+04    9.59892e+02   -2.90891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57047e+03    1.04584e+05    2.80155e+05   -1.72180e+04   -2.15848e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19787e+04   -1.73882e+06    3.44911e+05   -1.39391e+06   -7.10712e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09544e+02   -2.12700e+02   -3.51518e+01    3.49225e-06

           Step           Time
      222345000   444690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69118e+03    1.84574e+04    1.24536e+04    1.10579e+03   -2.85184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44982e+03    1.03879e+05    2.78871e+05   -1.71411e+04   -2.15046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19372e+04   -1.73161e+06    3.46476e+05   -1.38513e+06   -7.10248e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10948e+02   -2.10805e+02   -4.79102e+01    3.71108e-06

           Step           Time
      222350000   444700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44795e+03    1.83106e+04    1.25181e+04    1.09166e+03   -2.93960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43465e+03    1.04209e+05    2.82429e+05   -1.71979e+04   -2.15709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17950e+04   -1.73500e+06    3.46454e+05   -1.38854e+06   -7.10031e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10929e+02   -2.12204e+02    8.49165e+01    3.62437e-06

           Step           Time
      222355000   444710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49642e+03    1.84797e+04    1.23961e+04    1.06954e+03   -2.87487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41318e+03    1.03865e+05    2.78958e+05   -1.71624e+04   -2.15343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19428e+04   -1.73485e+06    3.46952e+05   -1.38789e+06   -7.09669e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11376e+02   -2.11329e+02   -1.13046e+02    3.55731e-06

           Step           Time
      222360000   444720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49633e+03    1.81551e+04    1.24972e+04    1.07351e+03   -2.92416e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41799e+03    1.03873e+05    2.81754e+05   -1.72726e+04   -2.15632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19236e+04   -1.73532e+06    3.47888e+05   -1.38744e+06   -7.09645e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12216e+02   -2.14049e+02    1.45141e+02    3.67590e-06

           Step           Time
      222365000   444730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39290e+03    1.81470e+04    1.23014e+04    1.09179e+03   -2.82598e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59107e+03    1.04020e+05    2.80115e+05   -1.71548e+04   -2.15715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18863e+04   -1.73759e+06    3.46344e+05   -1.39125e+06   -7.09542e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10830e+02   -2.11144e+02   -3.55399e+01    3.57462e-06

           Step           Time
      222370000   444740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72104e+03    1.87145e+04    1.23077e+04    1.01741e+03   -2.82993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53459e+03    1.03572e+05    2.80543e+05   -1.72053e+04   -2.15225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19612e+04   -1.73191e+06    3.48238e+05   -1.38367e+06   -7.08710e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12530e+02   -2.12386e+02    4.73456e+01    3.71715e-06

           Step           Time
      222375000   444750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58317e+03    1.82105e+04    1.24647e+04    1.03080e+03   -2.92363e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61221e+03    1.03927e+05    2.81364e+05   -1.71744e+04   -2.15534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17112e+04   -1.73454e+06    3.46850e+05   -1.38769e+06   -7.08842e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11284e+02   -2.11625e+02    3.14258e+01    3.65071e-06

           Step           Time
      222380000   444760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48472e+03    1.85619e+04    1.23470e+04    1.05714e+03   -2.89264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47254e+03    1.03665e+05    2.79595e+05   -1.72102e+04   -2.15206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18572e+04   -1.73312e+06    3.47124e+05   -1.38600e+06   -7.08369e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11531e+02   -2.12508e+02    1.29937e+00    3.62907e-06

           Step           Time
      222385000   444770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73830e+03    1.81149e+04    1.24387e+04    1.07950e+03   -2.91621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57612e+03    1.03649e+05    2.82637e+05   -1.71625e+04   -2.15476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19409e+04   -1.73267e+06    3.46670e+05   -1.38600e+06   -7.08020e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11123e+02   -2.11332e+02    6.94410e+01    3.58799e-06

           Step           Time
      222390000   444780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45053e+03    1.82383e+04    1.23369e+04    1.22782e+03   -2.91833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42472e+03    1.04140e+05    2.79245e+05   -1.71996e+04   -2.15309e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19797e+04   -1.73417e+06    3.47047e+05   -1.38712e+06   -7.07682e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11461e+02   -2.12245e+02   -6.51988e+01    3.54939e-06

           Step           Time
      222395000   444790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35136e+03    1.84102e+04    1.23043e+04    1.08968e+03   -2.86482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49211e+03    1.03204e+05    2.79595e+05   -1.71707e+04   -2.15644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17813e+04   -1.73825e+06    3.44504e+05   -1.39375e+06   -7.07676e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09179e+02   -2.11533e+02   -1.13383e+02    3.49230e-06

           Step           Time
      222400000   444800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21830e+03    1.83626e+04    1.24514e+04    1.07219e+03   -2.95895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49082e+03    1.03976e+05    2.80783e+05   -1.71901e+04   -2.15654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20264e+04   -1.73631e+06    3.46184e+05   -1.39013e+06   -7.07396e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10687e+02   -2.12011e+02    5.41665e+00    3.68998e-06

           Step           Time
      222405000   444810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.17640e+03    1.84035e+04    1.24154e+04    1.07072e+03   -2.90375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49264e+03    1.04296e+05    2.79682e+05   -1.71975e+04   -2.15506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21641e+04   -1.73546e+06    3.45704e+05   -1.38976e+06   -7.06825e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10256e+02   -2.12194e+02    2.06652e+00    3.72645e-06

           Step           Time
      222410000   444820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61588e+03    1.85121e+04    1.26124e+04    1.18047e+03   -2.83995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64204e+03    1.03777e+05    2.78513e+05   -1.72223e+04   -2.15054e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18230e+04   -1.73193e+06    3.47353e+05   -1.38458e+06   -7.06271e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11735e+02   -2.12806e+02    3.69887e+01    3.57743e-06

           Step           Time
      222415000   444830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36999e+03    1.82295e+04    1.22017e+04    1.06563e+03   -2.76937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55251e+03    1.03500e+05    2.80819e+05   -1.72239e+04   -2.15549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18104e+04   -1.73593e+06    3.45982e+05   -1.38995e+06   -7.06825e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10505e+02   -2.12845e+02    4.96075e+01    3.64279e-06

           Step           Time
      222420000   444840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57755e+03    1.83096e+04    1.23954e+04    1.05934e+03   -2.73525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63261e+03    1.03881e+05    2.82237e+05   -1.72354e+04   -2.15871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20851e+04   -1.73650e+06    3.48209e+05   -1.38829e+06   -7.05811e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12504e+02   -2.13129e+02    1.17226e+02    3.52949e-06

           Step           Time
      222425000   444850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50909e+03    1.82484e+04    1.24591e+04    1.05378e+03   -2.83316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46775e+03    1.03452e+05    2.81228e+05   -1.71897e+04   -2.15740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20490e+04   -1.73696e+06    3.46207e+05   -1.39075e+06   -7.05932e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10707e+02   -2.12001e+02    7.26769e+00    3.69624e-06

           Step           Time
      222430000   444860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42037e+03    1.81894e+04    1.23252e+04    1.09418e+03   -2.72109e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58451e+03    1.03960e+05    2.82674e+05   -1.71758e+04   -2.15808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19224e+04   -1.73581e+06    3.47344e+05   -1.38847e+06   -7.05875e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11728e+02   -2.11660e+02    1.17856e+02    3.63563e-06

           Step           Time
      222435000   444870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57305e+03    1.80060e+04    1.22487e+04    1.14996e+03   -2.80723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53475e+03    1.03924e+05    2.80994e+05   -1.71577e+04   -2.15494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18489e+04   -1.73463e+06    3.46439e+05   -1.38819e+06   -7.05376e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10915e+02   -2.11213e+02   -1.97713e+01    3.52077e-06

           Step           Time
      222440000   444880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55683e+03    1.80698e+04    1.23265e+04    1.01456e+03   -2.77174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54879e+03    1.03799e+05    2.81619e+05   -1.71975e+04   -2.15531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20605e+04   -1.73429e+06    3.47626e+05   -1.38666e+06   -7.05010e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11981e+02   -2.12193e+02    4.68902e+01    3.61273e-06

           Step           Time
      222445000   444890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30880e+03    1.79188e+04    1.24153e+04    1.08940e+03   -2.93139e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59071e+03    1.03561e+05    2.79003e+05   -1.71997e+04   -2.15354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19026e+04   -1.73588e+06    3.45144e+05   -1.39074e+06   -7.04604e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09753e+02   -2.12247e+02   -3.79264e+01    3.67017e-06

           Step           Time
      222450000   444900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40601e+03    1.77399e+04    1.24095e+04    1.09356e+03   -2.82741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51784e+03    1.03805e+05    2.81755e+05   -1.71401e+04   -2.15680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21062e+04   -1.73593e+06    3.45554e+05   -1.39038e+06   -7.04426e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10121e+02   -2.10782e+02   -2.45210e+01    3.57795e-06

           Step           Time
      222455000   444910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55027e+03    1.78358e+04    1.23165e+04    1.02289e+03   -2.89437e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45136e+03    1.04040e+05    2.83348e+05   -1.72063e+04   -2.15732e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18452e+04   -1.73501e+06    3.46285e+05   -1.38872e+06   -7.03998e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10777e+02   -2.12410e+02    1.20853e+02    3.65246e-06

           Step           Time
      222460000   444920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67423e+03    1.83976e+04    1.25156e+04    1.09840e+03   -2.92781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47811e+03    1.03505e+05    2.78812e+05   -1.71228e+04   -2.14982e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22271e+04   -1.73116e+06    3.45161e+05   -1.38600e+06   -7.03166e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09769e+02   -2.10357e+02   -8.35426e+01    3.60154e-06

           Step           Time
      222465000   444930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60945e+03    1.79174e+04    1.25022e+04    1.13905e+03   -2.86477e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55292e+03    1.03900e+05    2.79753e+05   -1.72330e+04   -2.15442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19686e+04   -1.73518e+06    3.45423e+05   -1.38975e+06   -7.03006e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10004e+02   -2.13069e+02    3.50486e+00    3.43925e-06

           Step           Time
      222470000   444940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53879e+03    1.83879e+04    1.24688e+04    1.05802e+03   -2.95843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48140e+03    1.03442e+05    2.79580e+05   -1.71872e+04   -2.15197e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20786e+04   -1.73308e+06    3.46800e+05   -1.38628e+06   -7.02722e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11240e+02   -2.11939e+02   -2.34553e+01    3.55457e-06

           Step           Time
      222475000   444950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65995e+03    1.83004e+04    1.23374e+04    1.09385e+03   -2.83775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45052e+03    1.03715e+05    2.81902e+05   -1.71531e+04   -2.15451e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22798e+04   -1.73276e+06    3.46105e+05   -1.38666e+06   -7.01801e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10616e+02   -2.11100e+02    1.75230e+01    3.71238e-06

           Step           Time
      222480000   444960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78697e+03    1.86002e+04    1.22841e+04    1.05108e+03   -2.90222e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44024e+03    1.03320e+05    2.81299e+05   -1.71911e+04   -2.15333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19283e+04   -1.73271e+06    3.46984e+05   -1.38573e+06   -7.02035e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11405e+02   -2.12036e+02    8.27684e+00    3.57519e-06

           Step           Time
      222485000   444970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49779e+03    1.83833e+04    1.24126e+04    1.03239e+03   -2.84854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50060e+03    1.04063e+05    2.78888e+05   -1.71891e+04   -2.15114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19778e+04   -1.73242e+06    3.46547e+05   -1.38587e+06   -7.01628e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11013e+02   -2.11988e+02   -7.15365e+00    3.54534e-06

           Step           Time
      222490000   444980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69212e+03    1.84369e+04    1.25433e+04    1.11727e+03   -2.80031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43606e+03    1.03470e+05    2.80889e+05   -1.72164e+04   -2.15643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21248e+04   -1.73574e+06    3.46475e+05   -1.38926e+06   -7.01039e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10948e+02   -2.12660e+02   -2.69111e+01    3.63229e-06

           Step           Time
      222495000   444990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59610e+03    1.81208e+04    1.22313e+04    1.06480e+03   -2.73545e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52904e+03    1.03618e+05    2.81187e+05   -1.71983e+04   -2.15433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19642e+04   -1.73396e+06    3.46203e+05   -1.38775e+06   -7.01095e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10704e+02   -2.12214e+02    5.42123e+01    3.61761e-06

           Step           Time
      222500000   445000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48113e+03    1.80471e+04    1.23413e+04    1.10599e+03   -2.95220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65432e+03    1.04080e+05    2.80334e+05   -1.71484e+04   -2.15321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21950e+04   -1.73307e+06    3.45694e+05   -1.38738e+06   -7.00718e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10246e+02   -2.10986e+02    1.61543e+01    3.85663e-06

           Step           Time
      222505000   445010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40159e+03    1.82180e+04    1.24249e+04    1.09422e+03   -2.81085e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53024e+03    1.03802e+05    2.82801e+05   -1.71681e+04   -2.15842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19709e+04   -1.73616e+06    3.46200e+05   -1.38996e+06   -7.00532e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10701e+02   -2.11471e+02    5.88846e+01    3.50206e-06

           Step           Time
      222510000   445020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48758e+03    1.84567e+04    1.23337e+04    1.01761e+03   -2.83757e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50865e+03    1.03792e+05    2.80239e+05   -1.71675e+04   -2.15254e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19841e+04   -1.73273e+06    3.46110e+05   -1.38662e+06   -7.00068e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10620e+02   -2.11455e+02    1.94772e+01    3.59585e-06

           Step           Time
      222515000   445030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43291e+03    1.82333e+04    1.22686e+04    1.09398e+03   -2.82531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40752e+03    1.03824e+05    2.80583e+05   -1.71573e+04   -2.15449e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18694e+04   -1.73476e+06    3.45622e+05   -1.38913e+06   -6.99842e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10183e+02   -2.11205e+02   -6.74141e+01    3.57203e-06

           Step           Time
      222520000   445040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43381e+03    1.80730e+04    1.23665e+04    1.10794e+03   -2.83248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50079e+03    1.03866e+05    2.84660e+05   -1.72148e+04   -2.16027e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18834e+04   -1.73643e+06    3.45695e+05   -1.39074e+06   -6.99721e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10248e+02   -2.12621e+02    1.69259e+02    3.73860e-06

           Step           Time
      222525000   445050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54540e+03    1.83125e+04    1.22628e+04    1.02295e+03   -2.79735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56257e+03    1.03507e+05    2.83100e+05   -1.71537e+04   -2.15897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19925e+04   -1.73662e+06    3.45850e+05   -1.39077e+06   -6.99148e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10387e+02   -2.11116e+02    8.51773e+01    3.58816e-06

           Step           Time
      222530000   445060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59603e+03    1.85003e+04    1.23272e+04    1.09737e+03   -2.82002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49183e+03    1.03701e+05    2.81676e+05   -1.71792e+04   -2.15432e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20275e+04   -1.73291e+06    3.47272e+05   -1.38563e+06   -6.99151e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11663e+02   -2.11743e+02    8.12437e+01    3.49826e-06

           Step           Time
      222535000   445070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39717e+03    1.82423e+04    1.23549e+04    1.11495e+03   -2.85774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47343e+03    1.03394e+05    2.82054e+05   -1.71808e+04   -2.15581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21435e+04   -1.73468e+06    3.45328e+05   -1.38935e+06   -6.98911e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09918e+02   -2.11782e+02    1.03684e+02    3.58826e-06

           Step           Time
      222540000   445080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44659e+03    1.83426e+04    1.22617e+04    1.05119e+03   -2.86850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44861e+03    1.03676e+05    2.80733e+05   -1.72194e+04   -2.15470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20595e+04   -1.73477e+06    3.45841e+05   -1.38892e+06   -6.98416e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10379e+02   -2.12734e+02    1.36934e+01    3.59686e-06

           Step           Time
      222545000   445090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55353e+03    1.81569e+04    1.23882e+04    1.14565e+03   -2.88603e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49214e+03    1.03357e+05    2.80430e+05   -1.71461e+04   -2.15469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21358e+04   -1.73506e+06    3.46112e+05   -1.38895e+06   -6.98299e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10622e+02   -2.10929e+02   -6.47557e+01    3.58071e-06

           Step           Time
      222550000   445100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60964e+03    1.78939e+04    1.23329e+04    1.04601e+03   -2.80794e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53007e+03    1.03908e+05    2.80183e+05   -1.71481e+04   -2.15433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19849e+04   -1.73480e+06    3.46989e+05   -1.38781e+06   -6.98370e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11409e+02   -2.10978e+02   -5.09794e+01    3.50287e-06

           Step           Time
      222555000   445110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45849e+03    1.82742e+04    1.25674e+04    1.04763e+03   -2.91926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60708e+03    1.03500e+05    2.82064e+05   -1.72038e+04   -2.15523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19537e+04   -1.73388e+06    3.46540e+05   -1.38734e+06   -6.97769e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11006e+02   -2.12350e+02    4.29318e+01    3.45120e-06

           Step           Time
      222560000   445120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54860e+03    1.81254e+04    1.22526e+04    1.02564e+03   -2.93715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40341e+03    1.03546e+05    2.81697e+05   -1.71685e+04   -2.15643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19606e+04   -1.73598e+06    3.46370e+05   -1.38961e+06   -6.97164e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10853e+02   -2.11481e+02    2.68455e+01    3.45074e-06

           Step           Time
      222565000   445130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37666e+03    1.83010e+04    1.23739e+04    1.13298e+03   -2.90851e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55597e+03    1.03804e+05    2.83349e+05   -1.71808e+04   -2.15710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18972e+04   -1.73440e+06    3.45447e+05   -1.38895e+06   -6.97042e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10025e+02   -2.11782e+02    9.90106e+01    3.75800e-06

           Step           Time
      222570000   445140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61605e+03    1.80189e+04    1.25231e+04    1.03453e+03   -2.93836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41545e+03    1.03638e+05    2.80209e+05   -1.72112e+04   -2.15517e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18561e+04   -1.73601e+06    3.46223e+05   -1.38979e+06   -6.96948e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10722e+02   -2.12533e+02   -8.92389e+01    3.51990e-06

           Step           Time
      222575000   445150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37133e+03    1.85790e+04    1.24768e+04    1.12824e+03   -2.76539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47858e+03    1.03610e+05    2.81648e+05   -1.71959e+04   -2.15610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19356e+04   -1.73483e+06    3.46423e+05   -1.38841e+06   -6.96464e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10901e+02   -2.12155e+02    1.12925e+02    3.43908e-06

           Step           Time
      222580000   445160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58833e+03    1.84698e+04    1.24186e+04    1.07074e+03   -2.89524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42171e+03    1.03151e+05    2.80043e+05   -1.71650e+04   -2.15359e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20170e+04   -1.73447e+06    3.45365e+05   -1.38911e+06   -6.96624e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09952e+02   -2.11392e+02   -7.82378e+01    3.62166e-06

           Step           Time
      222585000   445170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57479e+03    1.82727e+04    1.23533e+04    1.00895e+03   -2.84568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50379e+03    1.03091e+05    2.81597e+05   -1.72027e+04   -2.15598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18408e+04   -1.73578e+06    3.46380e+05   -1.38940e+06   -6.96054e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10862e+02   -2.12322e+02    3.13707e+01    3.48497e-06

           Step           Time
      222590000   445180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30359e+03    1.84076e+04    1.24387e+04    1.09125e+03   -2.88505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59691e+03    1.03578e+05    2.80172e+05   -1.71909e+04   -2.15541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19713e+04   -1.73593e+06    3.46036e+05   -1.38989e+06   -6.95622e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10553e+02   -2.12031e+02   -2.14449e+01    3.48796e-06

           Step           Time
      222595000   445190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39704e+03    1.85081e+04    1.25900e+04    1.15075e+03   -2.83995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49901e+03    1.03310e+05    2.83144e+05   -1.71982e+04   -2.15561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19585e+04   -1.73309e+06    3.45910e+05   -1.38718e+06   -6.95335e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10440e+02   -2.12211e+02    1.24896e+02    3.55686e-06

           Step           Time
      222600000   445200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48771e+03    1.81901e+04    1.23842e+04    1.02955e+03   -2.75514e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42975e+03    1.03582e+05    2.81638e+05   -1.71959e+04   -2.15438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20298e+04   -1.73356e+06    3.46669e+05   -1.38689e+06   -6.95215e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11122e+02   -2.12155e+02    1.12377e+01    3.63438e-06

           Step           Time
      222605000   445210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37785e+03    1.82500e+04    1.24142e+04    1.12997e+03   -2.87795e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57626e+03    1.03240e+05    2.79068e+05   -1.71551e+04   -2.15090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21112e+04   -1.73276e+06    3.45407e+05   -1.38736e+06   -6.95145e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09989e+02   -2.11151e+02   -6.09893e+01    3.57939e-06

           Step           Time
      222610000   445220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45949e+03    1.83593e+04    1.21873e+04    1.09904e+03   -2.87946e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53867e+03    1.03351e+05    2.82554e+05   -1.71924e+04   -2.15969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20304e+04   -1.73818e+06    3.44896e+05   -1.39329e+06   -6.94039e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09530e+02   -2.12068e+02    5.76834e+01    3.54462e-06

           Step           Time
      222615000   445230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63641e+03    1.84851e+04    1.23585e+04    1.09072e+03   -2.90858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53329e+03    1.02915e+05    2.82393e+05   -1.72274e+04   -2.15613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21610e+04   -1.73469e+06    3.47030e+05   -1.38766e+06   -6.93878e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11446e+02   -2.12930e+02    7.39883e+01    3.52174e-06

           Step           Time
      222620000   445240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47152e+03    1.82668e+04    1.23507e+04    1.10271e+03   -2.91724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44772e+03    1.03323e+05    2.81863e+05   -1.71860e+04   -2.15421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21513e+04   -1.73334e+06    3.46538e+05   -1.38680e+06   -6.93988e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11005e+02   -2.11911e+02    5.30880e+01    3.62496e-06

           Step           Time
      222625000   445250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70605e+03    1.78920e+04    1.24274e+04    1.03367e+03   -2.85014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52129e+03    1.03453e+05    2.81199e+05   -1.71937e+04   -2.15691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20079e+04   -1.73671e+06    3.47638e+05   -1.38907e+06   -6.93536e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11991e+02   -2.12100e+02   -2.31969e+01    3.64930e-06

           Step           Time
      222630000   445260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54135e+03    1.84902e+04    1.22736e+04    1.06672e+03   -2.74509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46173e+03    1.03339e+05    2.83535e+05   -1.72097e+04   -2.15792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19799e+04   -1.73518e+06    3.47556e+05   -1.38763e+06   -6.93241e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11918e+02   -2.12494e+02    1.62203e+02    3.56715e-06

           Step           Time
      222635000   445270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58548e+03    1.85205e+04    1.24578e+04    1.08091e+03   -2.80541e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60640e+03    1.03188e+05    2.84872e+05   -1.71961e+04   -2.16188e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21540e+04   -1.73742e+06    3.46757e+05   -1.39066e+06   -6.92572e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11201e+02   -2.12160e+02    1.11740e+02    3.52426e-06

           Step           Time
      222640000   445280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62080e+03    1.81592e+04    1.23598e+04    1.12520e+03   -2.83459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51655e+03    1.03443e+05    2.80523e+05   -1.71949e+04   -2.15435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20753e+04   -1.73456e+06    3.47464e+05   -1.38710e+06   -6.92602e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11835e+02   -2.12129e+02    1.01912e+01    3.55789e-06

           Step           Time
      222645000   445290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68376e+03    1.82651e+04    1.24490e+04    1.09083e+03   -2.98244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58938e+03    1.03758e+05    2.80235e+05   -1.71575e+04   -2.15359e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20294e+04   -1.73363e+06    3.47109e+05   -1.38652e+06   -6.92469e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11517e+02   -2.11208e+02   -2.13483e+01    3.52288e-06

           Step           Time
      222650000   445300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48318e+03    1.85463e+04    1.23342e+04    1.00498e+03   -2.80629e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65388e+03    1.03773e+05    2.82581e+05   -1.71841e+04   -2.15646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20398e+04   -1.73403e+06    3.45866e+05   -1.38817e+06   -6.91875e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10401e+02   -2.11865e+02    1.77445e+02    3.62137e-06

           Step           Time
      222655000   445310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56774e+03    1.83627e+04    1.25995e+04    1.10358e+03   -2.74311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43136e+03    1.03478e+05    2.77732e+05   -1.71512e+04   -2.14924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21161e+04   -1.73175e+06    3.47751e+05   -1.38400e+06   -6.91911e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12093e+02   -2.11054e+02   -1.25499e+02    3.78477e-06

           Step           Time
      222660000   445320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56553e+03    1.81236e+04    1.25038e+04    1.12610e+03   -2.93475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51907e+03    1.03395e+05    2.80849e+05   -1.71966e+04   -2.15534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19783e+04   -1.73541e+06    3.46526e+05   -1.38888e+06   -6.91271e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10993e+02   -2.12172e+02    3.27885e+01    3.66320e-06

           Step           Time
      222665000   445330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38738e+03    1.81554e+04    1.24980e+04    1.10702e+03   -2.93052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51061e+03    1.03125e+05    2.81412e+05   -1.72126e+04   -2.15588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19359e+04   -1.73589e+06    3.45178e+05   -1.39071e+06   -6.91259e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09784e+02   -2.12566e+02    2.08905e+01    3.47277e-06

           Step           Time
      222670000   445340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61283e+03    1.86308e+04    1.24080e+04    1.03332e+03   -2.88860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48455e+03    1.02958e+05    2.80251e+05   -1.72392e+04   -2.15333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19399e+04   -1.73414e+06    3.46194e+05   -1.38794e+06   -6.90578e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10696e+02   -2.13223e+02    4.78950e+01    3.53089e-06

           Step           Time
      222675000   445350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38133e+03    1.83497e+04    1.25609e+04    1.11706e+03   -2.87399e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50681e+03    1.03100e+05    2.78418e+05   -1.71555e+04   -2.15183e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20167e+04   -1.73441e+06    3.47657e+05   -1.38675e+06   -6.90714e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12009e+02   -2.11160e+02   -1.08000e+02    3.44679e-06

           Step           Time
      222680000   445360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38502e+03    1.82151e+04    1.24765e+04    1.08964e+03   -2.93849e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45732e+03    1.03693e+05    2.77986e+05   -1.71723e+04   -2.15039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20368e+04   -1.73316e+06    3.45792e+05   -1.38737e+06   -6.90185e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10335e+02   -2.11572e+02   -1.41761e+02    3.48831e-06

           Step           Time
      222685000   445370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58047e+03    1.83578e+04    1.25160e+04    1.02496e+03   -3.00188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69226e+03    1.03480e+05    2.80884e+05   -1.71648e+04   -2.15563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19413e+04   -1.73532e+06    3.47881e+05   -1.38744e+06   -6.89726e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12209e+02   -2.11389e+02    5.98565e+01    3.49301e-06

           Step           Time
      222690000   445380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55219e+03    1.82986e+04    1.23697e+04    1.07023e+03   -2.84093e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41332e+03    1.03001e+05    2.83044e+05   -1.71589e+04   -2.15917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19498e+04   -1.73747e+06    3.47043e+05   -1.39042e+06   -6.89414e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11458e+02   -2.11244e+02    2.08017e+01    3.63869e-06

           Step           Time
      222695000   445390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60094e+03    1.81287e+04    1.25826e+04    1.12962e+03   -3.00805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52426e+03    1.03615e+05    2.82863e+05   -1.71682e+04   -2.15785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19610e+04   -1.73563e+06    3.48352e+05   -1.38727e+06   -6.89129e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12633e+02   -2.11473e+02    1.21486e+02    3.66634e-06

           Step           Time
      222700000   445400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56031e+03    1.82506e+04    1.22169e+04    1.13358e+03   -2.92866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48305e+03    1.03137e+05    2.83348e+05   -1.72164e+04   -2.15658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19099e+04   -1.73468e+06    3.47353e+05   -1.38733e+06   -6.88812e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11736e+02   -2.12661e+02    1.37093e+02    3.59468e-06

           Step           Time
      222705000   445410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50376e+03    1.86181e+04    1.23847e+04    1.03422e+03   -2.91909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56122e+03    1.03202e+05    2.80948e+05   -1.71459e+04   -2.15190e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19997e+04   -1.73171e+06    3.45517e+05   -1.38620e+06   -6.88162e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10088e+02   -2.10923e+02   -2.89375e-01    3.51748e-06

           Step           Time
      222710000   445420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71792e+03    1.80716e+04    1.23914e+04    1.06698e+03   -2.85101e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46269e+03    1.03600e+05    2.82158e+05   -1.72242e+04   -2.15897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19016e+04   -1.73768e+06    3.46859e+05   -1.39082e+06   -6.88110e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11292e+02   -2.12851e+02    1.64255e+01    3.53543e-06

           Step           Time
      222715000   445430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67987e+03    1.79412e+04    1.23893e+04    1.10076e+03   -2.92639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46876e+03    1.03753e+05    2.82452e+05   -1.71736e+04   -2.15723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20717e+04   -1.73547e+06    3.46875e+05   -1.38860e+06   -6.87805e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11306e+02   -2.11606e+02    2.64918e+01    3.62187e-06

           Step           Time
      222720000   445440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54659e+03    1.83176e+04    1.25587e+04    1.11637e+03   -2.85329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51052e+03    1.03862e+05    2.83194e+05   -1.72052e+04   -2.15794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19892e+04   -1.73490e+06    3.47812e+05   -1.38709e+06   -6.87545e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12148e+02   -2.12384e+02    1.01790e+02    3.50372e-06

           Step           Time
      222725000   445450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36486e+03    1.78894e+04    1.21572e+04    1.11337e+03   -2.82157e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54917e+03    1.03447e+05    2.80509e+05   -1.71783e+04   -2.15682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19933e+04   -1.73779e+06    3.45580e+05   -1.39221e+06   -6.87406e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10145e+02   -2.11721e+02   -6.95212e+01    3.61109e-06

           Step           Time
      222730000   445460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65025e+03    1.77181e+04    1.24138e+04    1.15885e+03   -2.81580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56196e+03    1.03795e+05    2.83570e+05   -1.72209e+04   -2.15958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20190e+04   -1.73673e+06    3.46320e+05   -1.39041e+06   -6.86785e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10809e+02   -2.12771e+02    5.90716e+01    3.57736e-06

           Step           Time
      222735000   445470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43025e+03    1.79545e+04    1.24572e+04    1.08194e+03   -2.91990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48912e+03    1.03820e+05    2.80994e+05   -1.72094e+04   -2.15648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19089e+04   -1.73647e+06    3.46421e+05   -1.39005e+06   -6.86746e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10899e+02   -2.12487e+02    9.47042e+01    3.66649e-06

           Step           Time
      222740000   445480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58479e+03    1.82707e+04    1.23284e+04    1.13511e+03   -2.81382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61208e+03    1.03987e+05    2.83770e+05   -1.72159e+04   -2.15740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20038e+04   -1.73373e+06    3.45631e+05   -1.38810e+06   -6.86030e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10191e+02   -2.12647e+02    1.67194e+02    3.69488e-06

           Step           Time
      222745000   445490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68967e+03    1.80993e+04    1.23269e+04    1.04663e+03   -2.81917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55112e+03    1.03788e+05    2.80036e+05   -1.71856e+04   -2.15430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20417e+04   -1.73472e+06    3.47155e+05   -1.38757e+06   -6.86139e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11558e+02   -2.11901e+02   -1.92978e+01    3.63051e-06

           Step           Time
      222750000   445500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34795e+03    1.80607e+04    1.25031e+04    1.02389e+03   -2.80631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49958e+03    1.03174e+05    2.81517e+05   -1.71528e+04   -2.15649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18064e+04   -1.73651e+06    3.44238e+05   -1.39228e+06   -6.85939e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08940e+02   -2.11093e+02   -8.27384e+01    3.67460e-06

           Step           Time
      222755000   445510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32763e+03    1.83559e+04    1.24850e+04    1.04710e+03   -2.91823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52911e+03    1.03425e+05    2.81110e+05   -1.72238e+04   -2.15455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19703e+04   -1.73444e+06    3.47969e+05   -1.38647e+06   -6.85860e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12289e+02   -2.12843e+02    1.10210e+02    3.71067e-06

           Step           Time
      222760000   445520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34238e+03    1.82864e+04    1.24632e+04    1.08134e+03   -3.01191e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45362e+03    1.03986e+05    2.79581e+05   -1.71682e+04   -2.15219e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20254e+04   -1.73315e+06    3.45689e+05   -1.38746e+06   -6.85226e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10243e+02   -2.11473e+02    4.74895e+00    3.65790e-06

           Step           Time
      222765000   445530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77788e+03    1.83998e+04    1.23771e+04    1.05135e+03   -2.88831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41652e+03    1.03008e+05    2.84478e+05   -1.72622e+04   -2.16071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19395e+04   -1.73741e+06    3.46904e+05   -1.39051e+06   -6.84796e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11333e+02   -2.13791e+02    1.37475e+02    3.35588e-06

           Step           Time
      222770000   445540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53832e+03    1.80300e+04    1.21661e+04    1.08674e+03   -2.79620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44597e+03    1.03245e+05    2.78629e+05   -1.71871e+04   -2.15335e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19075e+04   -1.73629e+06    3.45099e+05   -1.39119e+06   -6.84786e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09713e+02   -2.11938e+02   -1.42401e+02    3.52046e-06

           Step           Time
      222775000   445550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33318e+03    1.83345e+04    1.25950e+04    1.11758e+03   -2.84394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54031e+03    1.03944e+05    2.81553e+05   -1.71700e+04   -2.15759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18525e+04   -1.73633e+06    3.47962e+05   -1.38837e+06   -6.84331e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12282e+02   -2.11517e+02    1.57064e+01    3.70432e-06

           Step           Time
      222780000   445560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56061e+03    1.81622e+04    1.22198e+04    1.03728e+03   -2.89805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48399e+03    1.03184e+05    2.81136e+05   -1.71625e+04   -2.15565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19978e+04   -1.73593e+06    3.45176e+05   -1.39076e+06   -6.84119e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09782e+02   -2.11332e+02   -3.98774e+00    3.45295e-06

           Step           Time
      222785000   445570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68386e+03    1.85500e+04    1.22588e+04    1.03415e+03   -2.86045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37147e+03    1.03157e+05    2.81278e+05   -1.71900e+04   -2.15600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19273e+04   -1.73579e+06    3.46238e+05   -1.38956e+06   -6.83748e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10735e+02   -2.12008e+02   -8.18961e+01    3.44469e-06

           Step           Time
      222790000   445580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78642e+03    1.84589e+04    1.23735e+04    1.13053e+03   -2.95034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49034e+03    1.03225e+05    2.78312e+05   -1.71993e+04   -2.15063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20720e+04   -1.73293e+06    3.46201e+05   -1.38673e+06   -6.83655e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10702e+02   -2.12237e+02   -4.33919e+00    3.67605e-06

           Step           Time
      222795000   445590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56698e+03    1.87957e+04    1.23557e+04    1.10841e+03   -2.86066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53049e+03    1.03195e+05    2.81903e+05   -1.71963e+04   -2.15569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21747e+04   -1.73412e+06    3.46630e+05   -1.38749e+06   -6.83166e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11087e+02   -2.12165e+02    1.13072e+02    3.58657e-06

           Step           Time
      222800000   445600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72205e+03    1.85569e+04    1.23372e+04    1.07683e+03   -2.80069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48313e+03    1.04182e+05    2.79328e+05   -1.71365e+04   -2.15096e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20325e+04   -1.73118e+06    3.49245e+05   -1.38193e+06   -6.83329e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13434e+02   -2.10693e+02   -2.23955e+00    3.71424e-06

           Step           Time
      222805000   445610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49040e+03    1.83503e+04    1.23048e+04    1.13542e+03   -2.83715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50775e+03    1.04009e+05    2.82640e+05   -1.71650e+04   -2.15757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20028e+04   -1.73514e+06    3.46399e+05   -1.38874e+06   -6.82944e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10879e+02   -2.11395e+02    9.40758e+01    3.61802e-06

           Step           Time
      222810000   445620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38725e+03    1.81887e+04    1.24430e+04    1.08889e+03   -2.95214e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49695e+03    1.03897e+05    2.82663e+05   -1.71784e+04   -2.15699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20149e+04   -1.73494e+06    3.46410e+05   -1.38853e+06   -6.82818e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10889e+02   -2.11724e+02    9.26425e+01    3.66612e-06

           Step           Time
      222815000   445630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48857e+03    1.83367e+04    1.24899e+04    1.11737e+03   -2.82042e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46412e+03    1.03861e+05    2.82079e+05   -1.71986e+04   -2.15575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19615e+04   -1.73397e+06    3.45920e+05   -1.38805e+06   -6.82478e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10449e+02   -2.12220e+02    6.79657e+01    3.63935e-06

           Step           Time
      222820000   445640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55338e+03    1.84892e+04    1.21986e+04    1.13784e+03   -2.86226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52643e+03    1.03798e+05    2.81173e+05   -1.71944e+04   -2.15496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19113e+04   -1.73423e+06    3.46064e+05   -1.38817e+06   -6.82206e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10579e+02   -2.12118e+02    4.97051e+01    3.70958e-06

           Step           Time
      222825000   445650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65634e+03    1.82172e+04    1.23360e+04    1.07601e+03   -2.85941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38652e+03    1.03745e+05    2.80639e+05   -1.71547e+04   -2.15539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19541e+04   -1.73540e+06    3.47798e+05   -1.38760e+06   -6.82488e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12135e+02   -2.11141e+02   -1.09561e+02    3.69270e-06

           Step           Time
      222830000   445660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48104e+03    1.84345e+04    1.23092e+04    1.07293e+03   -2.91144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50427e+03    1.03521e+05    2.81628e+05   -1.72004e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20667e+04   -1.73484e+06    3.44824e+05   -1.39001e+06   -6.81699e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09466e+02   -2.12266e+02    5.84849e+01    3.52557e-06

           Step           Time
      222835000   445670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53613e+03    1.81020e+04    1.21728e+04    1.07892e+03   -2.77385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49121e+03    1.04041e+05    2.80007e+05   -1.71879e+04   -2.15820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20874e+04   -1.73865e+06    3.47036e+05   -1.39161e+06   -6.81300e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11452e+02   -2.11957e+02   -6.94456e+01    3.64682e-06

           Step           Time
      222840000   445680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42633e+03    1.81733e+04    1.22191e+04    1.01325e+03   -2.92829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57935e+03    1.04089e+05    2.84360e+05   -1.72063e+04   -2.16122e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19278e+04   -1.73756e+06    3.48326e+05   -1.38924e+06   -6.81474e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12609e+02   -2.12411e+02    1.78156e+02    3.58169e-06

           Step           Time
      222845000   445690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41795e+03    1.83504e+04    1.25718e+04    1.10142e+03   -2.78574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61411e+03    1.03855e+05    2.81951e+05   -1.71946e+04   -2.15504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19537e+04   -1.73321e+06    3.48225e+05   -1.38498e+06   -6.81098e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12518e+02   -2.12122e+02    4.81775e+01    3.65447e-06

           Step           Time
      222850000   445700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58423e+03    1.82547e+04    1.24075e+04    1.08205e+03   -2.84118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48689e+03    1.04181e+05    2.83949e+05   -1.71620e+04   -2.15903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20897e+04   -1.73500e+06    3.47202e+05   -1.38780e+06   -6.80936e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11600e+02   -2.11319e+02    1.04662e+02    3.50763e-06

           Step           Time
      222855000   445710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57793e+03    1.83388e+04    1.24071e+04    1.09826e+03   -2.78952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51307e+03    1.03917e+05    2.79678e+05   -1.71939e+04   -2.15347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19838e+04   -1.73394e+06    3.46285e+05   -1.38765e+06   -6.80261e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10778e+02   -2.12106e+02    2.16992e+01    3.58568e-06

           Step           Time
      222860000   445720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43008e+03    1.79018e+04    1.24252e+04    1.01093e+03   -2.85648e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47476e+03    1.04303e+05    2.81011e+05   -1.71905e+04   -2.15634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18945e+04   -1.73594e+06    3.45610e+05   -1.39032e+06   -6.80478e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10172e+02   -2.12021e+02    2.41276e+01    3.57243e-06

           Step           Time
      222865000   445730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49048e+03    1.81152e+04    1.23499e+04    1.13153e+03   -2.78809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58641e+03    1.04655e+05    2.78737e+05   -1.71913e+04   -2.15200e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19091e+04   -1.73301e+06    3.45984e+05   -1.38703e+06   -6.80146e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10507e+02   -2.12041e+02   -2.16362e+01    3.54015e-06

           Step           Time
      222870000   445740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46260e+03    1.83197e+04    1.24139e+04    1.02525e+03   -2.85327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42481e+03    1.03869e+05    2.81731e+05   -1.71801e+04   -2.15736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20626e+04   -1.73609e+06    3.48020e+05   -1.38807e+06   -6.79651e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12334e+02   -2.11765e+02    3.59710e+01    3.51083e-06

           Step           Time
      222875000   445750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52972e+03    1.82180e+04    1.22543e+04    1.02168e+03   -2.77424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56249e+03    1.03834e+05    2.80378e+05   -1.71724e+04   -2.15459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19735e+04   -1.73476e+06    3.45446e+05   -1.38932e+06   -6.79290e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10025e+02   -2.11577e+02   -8.31537e+00    3.51297e-06

           Step           Time
      222880000   445760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53363e+03    1.82378e+04    1.24130e+04    1.10267e+03   -2.74513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39485e+03    1.04618e+05    2.80172e+05   -1.71972e+04   -2.15281e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21115e+04   -1.73217e+06    3.48628e+05   -1.38354e+06   -6.79620e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12880e+02   -2.12185e+02    8.09574e+00    3.58441e-06

           Step           Time
      222885000   445770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47450e+03    1.83900e+04    1.24578e+04    1.17798e+03   -2.95269e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59422e+03    1.04394e+05    2.80641e+05   -1.71678e+04   -2.15454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19571e+04   -1.73357e+06    3.46671e+05   -1.38690e+06   -6.78871e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11124e+02   -2.11463e+02    1.76723e+01    3.48965e-06

           Step           Time
      222890000   445780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63252e+03    1.86739e+04    1.25214e+04    1.02271e+03   -2.87178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33678e+03    1.03926e+05    2.78819e+05   -1.71440e+04   -2.15188e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20691e+04   -1.73289e+06    3.47360e+05   -1.38553e+06   -6.78570e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11743e+02   -2.10878e+02   -3.25142e+01    3.48936e-06

           Step           Time
      222895000   445790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24005e+03    1.80334e+04    1.23101e+04    1.12257e+03   -2.78701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51136e+03    1.04092e+05    2.78210e+05   -1.71920e+04   -2.15425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20069e+04   -1.73671e+06    3.45384e+05   -1.39132e+06   -6.78405e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09969e+02   -2.12058e+02   -1.12399e+02    3.43249e-06

           Step           Time
      222900000   445800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40557e+03    1.82262e+04    1.23262e+04    1.00926e+03   -2.83250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46332e+03    1.04168e+05    2.79127e+05   -1.71945e+04   -2.15173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20055e+04   -1.73302e+06    3.45517e+05   -1.38751e+06   -6.78234e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10088e+02   -2.12120e+02   -2.30880e+01    3.56822e-06

           Step           Time
      222905000   445810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58896e+03    1.87172e+04    1.21558e+04    1.08509e+03   -2.83815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42580e+03    1.04183e+05    2.81797e+05   -1.72150e+04   -2.15565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19506e+04   -1.73380e+06    3.48276e+05   -1.38552e+06   -6.77530e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12564e+02   -2.12624e+02    4.71106e+01    3.65178e-06

           Step           Time
      222910000   445820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50238e+03    1.81559e+04    1.24564e+04    1.03805e+03   -2.86985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46724e+03    1.04444e+05    2.79034e+05   -1.71553e+04   -2.15204e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19257e+04   -1.73304e+06    3.45066e+05   -1.38798e+06   -6.77224e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09683e+02   -2.11155e+02   -7.02858e+01    3.64600e-06

           Step           Time
      222915000   445830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60163e+03    1.81681e+04    1.22943e+04    1.11622e+03   -2.81249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51793e+03    1.04372e+05    2.80696e+05   -1.71585e+04   -2.15306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21736e+04   -1.73209e+06    3.45420e+05   -1.38667e+06   -6.77048e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10001e+02   -2.11233e+02   -4.46691e+00    3.65379e-06

           Step           Time
      222920000   445840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21251e+03    1.84107e+04    1.22234e+04    1.04834e+03   -2.90006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45552e+03    1.04433e+05    2.79179e+05   -1.71895e+04   -2.15348e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21130e+04   -1.73450e+06    3.44877e+05   -1.38962e+06   -6.77014e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09513e+02   -2.11997e+02   -2.56667e+01    3.56429e-06

           Step           Time
      222925000   445850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41210e+03    1.82698e+04    1.23760e+04    1.18690e+03   -2.86027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56062e+03    1.04863e+05    2.79353e+05   -1.71577e+04   -2.15419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20625e+04   -1.73413e+06    3.45171e+05   -1.38896e+06   -6.76960e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09777e+02   -2.11213e+02   -1.35907e+02    3.49441e-06

           Step           Time
      222930000   445860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54667e+03    1.81203e+04    1.22109e+04    1.07284e+03   -2.82142e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55390e+03    1.04603e+05    2.77438e+05   -1.71374e+04   -2.15169e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18579e+04   -1.73424e+06    3.43780e+05   -1.39046e+06   -6.76645e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08529e+02   -2.10714e+02   -1.68008e+02    3.53927e-06

           Step           Time
      222935000   445870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28350e+03    1.79941e+04    1.23547e+04    1.06712e+03   -2.83932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68522e+03    1.04311e+05    2.82163e+05   -1.71711e+04   -2.15788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18867e+04   -1.73614e+06    3.46378e+05   -1.38977e+06   -6.76538e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10860e+02   -2.11544e+02    1.46156e+02    3.61117e-06

           Step           Time
      222940000   445880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34079e+03    1.82215e+04    1.24759e+04    1.09096e+03   -2.92667e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52325e+03    1.03992e+05    2.79647e+05   -1.71847e+04   -2.15461e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21001e+04   -1.73533e+06    3.48165e+05   -1.38717e+06   -6.76421e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12464e+02   -2.11878e+02   -3.22196e+01    3.65741e-06

           Step           Time
      222945000   445890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49806e+03    1.81579e+04    1.23935e+04    1.14037e+03   -2.91694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46908e+03    1.04104e+05    2.81685e+05   -1.72074e+04   -2.15618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19955e+04   -1.73486e+06    3.46115e+05   -1.38874e+06   -6.75349e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10625e+02   -2.12438e+02    2.30503e+01    3.59079e-06

           Step           Time
      222950000   445900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63089e+03    1.81413e+04    1.22850e+04    1.08148e+03   -2.89831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45335e+03    1.04597e+05    2.81205e+05   -1.71712e+04   -2.15603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18223e+04   -1.73488e+06    3.47620e+05   -1.38726e+06   -6.75302e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11975e+02   -2.11546e+02   -1.55841e+01    3.44661e-06

           Step           Time
      222955000   445910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48902e+03    1.81393e+04    1.21669e+04    1.13922e+03   -2.87217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51818e+03    1.03290e+05    2.80954e+05   -1.72061e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18816e+04   -1.73756e+06    3.45876e+05   -1.39168e+06   -6.75176e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10410e+02   -2.12407e+02   -6.77361e+00    3.49719e-06

Writing checkpoint, step 222957800 at Fri Dec  1 19:08:07 2023


           Step           Time
      222960000   445920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49627e+03    1.80824e+04    1.22844e+04    1.14175e+03   -2.93677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51092e+03    1.04367e+05    2.82790e+05   -1.72350e+04   -2.15841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19420e+04   -1.73596e+06    3.45342e+05   -1.39062e+06   -6.74604e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09931e+02   -2.13120e+02    1.20765e+02    3.58325e-06

           Step           Time
      222965000   445930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61433e+03    1.83902e+04    1.22460e+04    1.07445e+03   -2.88750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39629e+03    1.04327e+05    2.79096e+05   -1.71917e+04   -2.15350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19090e+04   -1.73453e+06    3.47113e+05   -1.38741e+06   -6.74269e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11520e+02   -2.12050e+02   -6.87079e+01    3.64685e-06

           Step           Time
      222970000   445940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56859e+03    1.81406e+04    1.24770e+04    1.04490e+03   -2.92401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53690e+03    1.03820e+05    2.83434e+05   -1.71843e+04   -2.15739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20609e+04   -1.73441e+06    3.44429e+05   -1.38998e+06   -6.73766e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09111e+02   -2.11869e+02    6.86626e+01    3.40787e-06

           Step           Time
      222975000   445950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44045e+03    1.83585e+04    1.22610e+04    1.01526e+03   -2.87432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54947e+03    1.03405e+05    2.81201e+05   -1.72110e+04   -2.15510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19240e+04   -1.73503e+06    3.44772e+05   -1.39026e+06   -6.73949e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09419e+02   -2.12526e+02    3.59267e+01    3.41640e-06

           Step           Time
      222980000   445960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60740e+03    1.86854e+04    1.22858e+04    1.01750e+03   -2.89496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56752e+03    1.03998e+05    2.82396e+05   -1.72146e+04   -2.15527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17610e+04   -1.73306e+06    3.47119e+05   -1.38595e+06   -6.73842e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11526e+02   -2.12615e+02    1.19022e+02    3.45936e-06

           Step           Time
      222985000   445970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76350e+03    1.83393e+04    1.24645e+04    1.13086e+03   -2.88603e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37435e+03    1.03933e+05    2.77341e+05   -1.71026e+04   -2.15110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20442e+04   -1.73369e+06    3.47263e+05   -1.38643e+06   -6.73185e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11655e+02   -2.09862e+02   -2.49170e+02    3.44360e-06

           Step           Time
      222990000   445980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54362e+03    1.82590e+04    1.23999e+04    1.05979e+03   -2.92019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52508e+03    1.04275e+05    2.81789e+05   -1.71832e+04   -2.15548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20449e+04   -1.73369e+06    3.46617e+05   -1.38708e+06   -6.72949e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11075e+02   -2.11841e+02    3.93390e+01    3.48089e-06

           Step           Time
      222995000   445990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50118e+03    1.79167e+04    1.23345e+04    1.07363e+03   -2.89218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52217e+03    1.03882e+05    2.81038e+05   -1.72015e+04   -2.15854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17327e+04   -1.73863e+06    3.43940e+05   -1.39469e+06   -6.72691e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08673e+02   -2.12293e+02    1.63108e+00    3.41121e-06

           Step           Time
      223000000   446000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53401e+03    1.83256e+04    1.23075e+04    1.06457e+03   -2.92918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36765e+03    1.03917e+05    2.80705e+05   -1.71446e+04   -2.15515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21126e+04   -1.73489e+06    3.46618e+05   -1.38827e+06   -6.72459e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11076e+02   -2.10893e+02   -5.82473e+01    3.52380e-06

           Step           Time
      223005000   446010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48682e+03    1.83733e+04    1.23778e+04    1.10433e+03   -2.82732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53687e+03    1.03611e+05    2.82958e+05   -1.71496e+04   -2.15822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19934e+04   -1.73576e+06    3.46105e+05   -1.38965e+06   -6.71962e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10616e+02   -2.11015e+02    7.43853e+01    3.58606e-06

           Step           Time
      223010000   446020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28764e+03    1.81794e+04    1.23352e+04    1.05852e+03   -2.92862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50006e+03    1.04085e+05    2.79183e+05   -1.72019e+04   -2.15663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18020e+04   -1.73833e+06    3.45680e+05   -1.39265e+06   -6.71912e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10234e+02   -2.12302e+02   -9.89887e+01    3.61926e-06

           Step           Time
      223015000   446030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37603e+03    1.85242e+04    1.22355e+04    1.06403e+03   -2.85420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48781e+03    1.03733e+05    2.81043e+05   -1.72144e+04   -2.15656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19572e+04   -1.73621e+06    3.47153e+05   -1.38905e+06   -6.71344e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11556e+02   -2.12612e+02    9.00370e+01    3.71055e-06

           Step           Time
      223020000   446040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65247e+03    1.84308e+04    1.23123e+04    1.12859e+03   -2.89215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40779e+03    1.04263e+05    2.79555e+05   -1.71375e+04   -2.15321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19040e+04   -1.73359e+06    3.48357e+05   -1.38523e+06   -6.71230e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12637e+02   -2.10717e+02   -8.00504e+01    3.49459e-06

           Step           Time
      223025000   446050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46193e+03    1.80887e+04    1.24954e+04    1.15888e+03   -2.92424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50327e+03    1.03975e+05    2.79029e+05   -1.72119e+04   -2.15357e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18689e+04   -1.73513e+06    3.46370e+05   -1.38876e+06   -6.71129e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10853e+02   -2.12549e+02   -5.36020e+01    3.52717e-06

           Step           Time
      223030000   446060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65099e+03    1.81253e+04    1.23967e+04    1.08401e+03   -3.13934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43122e+03    1.04079e+05    2.83424e+05   -1.71863e+04   -2.16048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19405e+04   -1.73767e+06    3.46209e+05   -1.39147e+06   -6.70570e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10709e+02   -2.11917e+02    2.72884e+01    3.44783e-06

           Step           Time
      223035000   446070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39211e+03    1.78868e+04    1.23556e+04    1.08908e+03   -2.78474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50504e+03    1.04436e+05    2.80453e+05   -1.72112e+04   -2.15711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20956e+04   -1.73690e+06    3.47310e+05   -1.38959e+06   -6.70394e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11697e+02   -2.12532e+02   -1.28796e+01    3.48671e-06

           Step           Time
      223040000   446080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38811e+03    1.82817e+04    1.23989e+04    1.05539e+03   -2.78279e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51807e+03    1.03856e+05    2.80440e+05   -1.72004e+04   -2.15355e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18679e+04   -1.73372e+06    3.48396e+05   -1.38533e+06   -6.70488e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12672e+02   -2.12265e+02    3.77532e+01    3.68860e-06

           Step           Time
      223045000   446090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26215e+03    1.84052e+04    1.25190e+04    1.12108e+03   -3.00735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63338e+03    1.04132e+05    2.79586e+05   -1.71760e+04   -2.15389e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19711e+04   -1.73444e+06    3.45912e+05   -1.38853e+06   -6.70102e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10442e+02   -2.11665e+02    1.23655e+01    3.53886e-06

           Step           Time
      223050000   446100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47071e+03    1.81263e+04    1.24060e+04    1.17309e+03   -2.92696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44313e+03    1.03955e+05    2.79539e+05   -1.72122e+04   -2.15462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20860e+04   -1.73556e+06    3.46620e+05   -1.38894e+06   -6.69956e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11078e+02   -2.12557e+02   -3.91367e+01    3.63324e-06

           Step           Time
      223055000   446110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47938e+03    1.79944e+04    1.25556e+04    1.05282e+03   -2.93396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55773e+03    1.04249e+05    2.81300e+05   -1.71849e+04   -2.15767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19645e+04   -1.73664e+06    3.45799e+05   -1.39084e+06   -6.69584e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10341e+02   -2.11883e+02   -2.40134e+00    3.34312e-06

           Step           Time
      223060000   446120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45451e+03    1.82064e+04    1.22181e+04    1.12283e+03   -2.72387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42585e+03    1.04135e+05    2.81463e+05   -1.71859e+04   -2.15606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19598e+04   -1.73498e+06    3.45530e+05   -1.38945e+06   -6.69415e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10099e+02   -2.11908e+02   -1.38513e+01    3.52420e-06

           Step           Time
      223065000   446130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62328e+03    1.81681e+04    1.23297e+04    1.16149e+03   -2.89275e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50137e+03    1.03829e+05    2.80815e+05   -1.71941e+04   -2.15343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19296e+04   -1.73316e+06    3.46985e+05   -1.38617e+06   -6.68874e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11405e+02   -2.12109e+02    7.16236e+01    3.55894e-06

           Step           Time
      223070000   446140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45755e+03    1.86428e+04    1.22624e+04    1.10199e+03   -2.83405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51606e+03    1.03769e+05    2.82106e+05   -1.72123e+04   -2.15607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20591e+04   -1.73420e+06    3.46852e+05   -1.38735e+06   -6.68705e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11287e+02   -2.12560e+02    1.04128e+02    3.54513e-06

           Step           Time
      223075000   446150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54446e+03    1.82685e+04    1.23343e+04    1.12741e+03   -2.90834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49228e+03    1.03573e+05    2.80902e+05   -1.71614e+04   -2.15646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20507e+04   -1.73624e+06    3.48054e+05   -1.38819e+06   -6.68694e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12365e+02   -2.11304e+02    5.91554e+00    3.54662e-06

           Step           Time
      223080000   446160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37744e+03    1.81782e+04    1.24021e+04    1.06482e+03   -2.82270e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53131e+03    1.03914e+05    2.81236e+05   -1.71742e+04   -2.15530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19660e+04   -1.73463e+06    3.46972e+05   -1.38766e+06   -6.68670e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11394e+02   -2.11620e+02   -6.95027e+00    3.58103e-06

           Step           Time
      223085000   446170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52529e+03    1.81513e+04    1.21918e+04    1.09746e+03   -2.88422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58348e+03    1.03898e+05    2.83136e+05   -1.72169e+04   -2.16029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19181e+04   -1.73789e+06    3.47977e+05   -1.38992e+06   -6.68335e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12295e+02   -2.12673e+02    1.39555e+02    3.54625e-06

           Step           Time
      223090000   446180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44310e+03    1.82212e+04    1.23727e+04    1.14035e+03   -2.81459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56343e+03    1.04323e+05    2.82404e+05   -1.71940e+04   -2.15795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20640e+04   -1.73543e+06    3.45069e+05   -1.39036e+06   -6.67539e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09686e+02   -2.12108e+02    9.80817e+01    3.45683e-06

           Step           Time
      223095000   446190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47191e+03    1.80699e+04    1.22101e+04    1.08352e+03   -2.88613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52748e+03    1.04050e+05    2.80151e+05   -1.71698e+04   -2.15459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.16964e+04   -1.73538e+06    3.46735e+05   -1.38865e+06   -6.68002e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11181e+02   -2.11512e+02   -6.39684e+01    3.54829e-06

           Step           Time
      223100000   446200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38973e+03    1.82310e+04    1.23927e+04    9.70009e+02   -2.97862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54283e+03    1.03900e+05    2.79682e+05   -1.72202e+04   -2.15475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18717e+04   -1.73597e+06    3.46555e+05   -1.38941e+06   -6.67569e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11019e+02   -2.12753e+02    1.64212e+01    3.59622e-06

           Step           Time
      223105000   446210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43804e+03    1.85580e+04    1.21845e+04    1.07379e+03   -2.84570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45199e+03    1.03819e+05    2.80783e+05   -1.71425e+04   -2.15617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20532e+04   -1.73580e+06    3.46731e+05   -1.38907e+06   -6.67151e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11177e+02   -2.10841e+02   -8.85385e+01    3.52963e-06

           Step           Time
      223110000   446220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51845e+03    1.79614e+04    1.24361e+04    1.02229e+03   -2.93196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62300e+03    1.04512e+05    2.81665e+05   -1.72151e+04   -2.15603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19375e+04   -1.73450e+06    3.46518e+05   -1.38798e+06   -6.66986e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10987e+02   -2.12628e+02    8.47134e+01    3.53239e-06

           Step           Time
      223115000   446230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51483e+03    1.83946e+04    1.23914e+04    1.09334e+03   -2.96265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41645e+03    1.04161e+05    2.76004e+05   -1.71829e+04   -2.14830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20877e+04   -1.73238e+06    3.45216e+05   -1.38716e+06   -6.66740e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09818e+02   -2.11833e+02   -2.01573e+02    3.44862e-06

           Step           Time
      223120000   446240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46702e+03    1.83264e+04    1.24871e+04    1.06997e+03   -2.97727e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48731e+03    1.04532e+05    2.79802e+05   -1.71959e+04   -2.15504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19978e+04   -1.73505e+06    3.46156e+05   -1.38889e+06   -6.66289e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10661e+02   -2.12154e+02   -1.32776e+01    3.51086e-06

           Step           Time
      223125000   446250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57811e+03    1.77904e+04    1.23757e+04    1.09577e+03   -2.86787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54440e+03    1.04501e+05    2.80333e+05   -1.72113e+04   -2.15673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19735e+04   -1.73662e+06    3.47954e+05   -1.38866e+06   -6.66208e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12275e+02   -2.12534e+02   -1.09465e+01    3.54368e-06

           Step           Time
      223130000   446260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40029e+03    1.81035e+04    1.24889e+04    1.07042e+03   -2.90644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49072e+03    1.04272e+05    2.80860e+05   -1.71595e+04   -2.15560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19964e+04   -1.73499e+06    3.46288e+05   -1.38870e+06   -6.66016e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10780e+02   -2.11259e+02   -1.35053e+01    3.55719e-06

           Step           Time
      223135000   446270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48736e+03    1.82440e+04    1.24568e+04    1.05207e+03   -2.88232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45885e+03    1.04015e+05    2.80601e+05   -1.72299e+04   -2.15528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19656e+04   -1.73511e+06    3.46071e+05   -1.38904e+06   -6.65402e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10585e+02   -2.12992e+02    1.01558e+00    3.47766e-06

           Step           Time
      223140000   446280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50811e+03    1.82961e+04    1.23931e+04    1.17022e+03   -2.90475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46636e+03    1.03922e+05    2.78938e+05   -1.71590e+04   -2.15524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19629e+04   -1.73664e+06    3.46711e+05   -1.38993e+06   -6.65080e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11160e+02   -2.11247e+02   -1.78185e+02    3.62778e-06

           Step           Time
      223145000   446290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65100e+03    1.79781e+04    1.24384e+04    1.08295e+03   -2.83105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50035e+03    1.04134e+05    2.79256e+05   -1.71398e+04   -2.15382e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20885e+04   -1.73466e+06    3.46771e+05   -1.38789e+06   -6.64928e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11213e+02   -2.10775e+02   -1.01045e+02    3.67090e-06

           Step           Time
      223150000   446300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39672e+03    1.82505e+04    1.23532e+04    1.11513e+03   -2.96229e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56134e+03    1.04216e+05    2.80298e+05   -1.72051e+04   -2.15413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19213e+04   -1.73418e+06    3.47287e+05   -1.38690e+06   -6.64695e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11676e+02   -2.12382e+02    5.89462e+01    3.72625e-06

           Step           Time
      223155000   446310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35787e+03    1.83723e+04    1.25350e+04    1.20439e+03   -2.99076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51515e+03    1.04127e+05    2.80597e+05   -1.72300e+04   -2.15542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18201e+04   -1.73511e+06    3.46965e+05   -1.38815e+06   -6.64265e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11388e+02   -2.12995e+02    4.67500e+01    3.36656e-06

           Step           Time
      223160000   446320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58816e+03    1.84065e+04    1.23055e+04    1.09303e+03   -2.74348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49150e+03    1.04370e+05    2.80479e+05   -1.72158e+04   -2.15636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20986e+04   -1.73549e+06    3.47320e+05   -1.38817e+06   -6.64020e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11706e+02   -2.12644e+02    7.88281e+00    3.49383e-06

           Step           Time
      223165000   446330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66420e+03    1.83050e+04    1.23590e+04    1.01575e+03   -2.88434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50815e+03    1.04270e+05    2.80244e+05   -1.71375e+04   -2.15451e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20240e+04   -1.73415e+06    3.46943e+05   -1.38720e+06   -6.63396e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11368e+02   -2.10717e+02   -3.75079e+01    3.50723e-06

           Step           Time
      223170000   446340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57919e+03    1.83184e+04    1.23898e+04    1.10772e+03   -2.82112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49656e+03    1.03935e+05    2.83301e+05   -1.71877e+04   -2.15699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20296e+04   -1.73384e+06    3.47484e+05   -1.38635e+06   -6.62752e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11853e+02   -2.11953e+02    1.06385e+02    3.63473e-06

           Step           Time
      223175000   446350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74540e+03    1.81646e+04    1.23205e+04    1.03895e+03   -2.80214e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51192e+03    1.04123e+05    2.81322e+05   -1.72333e+04   -2.15660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19458e+04   -1.73546e+06    3.47370e+05   -1.38809e+06   -6.62361e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11751e+02   -2.13078e+02    1.20881e+00    3.50249e-06

           Step           Time
      223180000   446360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60007e+03    1.85098e+04    1.21464e+04    1.05814e+03   -2.90461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48933e+03    1.04020e+05    2.82309e+05   -1.71773e+04   -2.15774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18306e+04   -1.73586e+06    3.46106e+05   -1.38976e+06   -6.62251e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10617e+02   -2.11696e+02    3.94112e+01    3.53147e-06

           Step           Time
      223185000   446370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45021e+03    1.80683e+04    1.23334e+04    1.03421e+03   -2.77615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56621e+03    1.04647e+05    2.81215e+05   -1.71624e+04   -2.15809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19963e+04   -1.73672e+06    3.46734e+05   -1.38998e+06   -6.62084e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11180e+02   -2.11330e+02   -2.75618e+01    3.70115e-06

           Step           Time
      223190000   446380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37418e+03    1.81435e+04    1.23509e+04    1.07383e+03   -2.84578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48582e+03    1.04801e+05    2.81268e+05   -1.72190e+04   -2.15645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19241e+04   -1.73509e+06    3.46160e+05   -1.38893e+06   -6.62240e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10665e+02   -2.12723e+02    4.50146e+01    3.47044e-06

           Step           Time
      223195000   446390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48733e+03    1.81413e+04    1.23554e+04    1.04369e+03   -2.91441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54287e+03    1.04459e+05    2.82684e+05   -1.71924e+04   -2.15902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19854e+04   -1.73643e+06    3.44665e+05   -1.39177e+06   -6.61611e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09324e+02   -2.12069e+02    9.39567e+01    3.57864e-06

           Step           Time
      223200000   446400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73794e+03    1.84589e+04    1.25608e+04    1.11817e+03   -3.00211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53373e+03    1.04173e+05    2.76454e+05   -1.71460e+04   -2.14842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19713e+04   -1.73156e+06    3.46196e+05   -1.38537e+06   -6.61388e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10697e+02   -2.10926e+02   -1.90135e+02    3.46456e-06

           Step           Time
      223205000   446410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37983e+03    1.84575e+04    1.24677e+04    1.12631e+03   -2.97101e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61156e+03    1.04532e+05    2.80203e+05   -1.71999e+04   -2.15316e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20406e+04   -1.73251e+06    3.48100e+05   -1.38441e+06   -6.61705e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12406e+02   -2.12254e+02    7.73766e+01    3.74987e-06

           Step           Time
      223210000   446420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46197e+03    1.82269e+04    1.23362e+04    1.04690e+03   -2.99810e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61993e+03    1.04184e+05    2.77872e+05   -1.71893e+04   -2.14971e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20107e+04   -1.73214e+06    3.46710e+05   -1.38543e+06   -6.61472e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11159e+02   -2.11992e+02   -7.12381e+01    3.55876e-06

           Step           Time
      223215000   446430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62223e+03    1.82286e+04    1.24247e+04    1.12759e+03   -2.92902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52964e+03    1.04374e+05    2.80625e+05   -1.71889e+04   -2.15312e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18403e+04   -1.73247e+06    3.47424e+05   -1.38504e+06   -6.61415e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11799e+02   -2.11982e+02   -7.97344e+00    3.47230e-06

           Step           Time
      223220000   446440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63403e+03    1.82620e+04    1.22396e+04    1.08455e+03   -2.83934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45126e+03    1.03846e+05    2.80433e+05   -1.71818e+04   -2.15566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20405e+04   -1.73569e+06    3.44606e+05   -1.39109e+06   -6.60994e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09270e+02   -2.11808e+02   -5.02896e+01    3.52187e-06

           Step           Time
      223225000   446450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55465e+03    1.80141e+04    1.22447e+04    1.07410e+03   -2.94050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50124e+03    1.04622e+05    2.80977e+05   -1.71756e+04   -2.15676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19530e+04   -1.73593e+06    3.47450e+05   -1.38848e+06   -6.61010e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11823e+02   -2.11653e+02    4.93637e+00    3.47469e-06

           Step           Time
      223230000   446460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28569e+03    1.80822e+04    1.23465e+04    9.89962e+02   -2.94877e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49590e+03    1.04559e+05    2.82962e+05   -1.72250e+04   -2.15830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19713e+04   -1.73578e+06    3.47110e+05   -1.38867e+06   -6.60881e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11518e+02   -2.12873e+02    9.64337e+01    3.62550e-06

           Step           Time
      223235000   446470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42289e+03    1.83964e+04    1.26809e+04    1.05994e+03   -3.08044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61089e+03    1.04163e+05    2.81929e+05   -1.71832e+04   -2.15642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19911e+04   -1.73443e+06    3.47479e+05   -1.38695e+06   -6.60194e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11849e+02   -2.11840e+02    5.75222e+01    3.62901e-06

           Step           Time
      223240000   446480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46078e+03    1.78674e+04    1.22007e+04    1.12884e+03   -2.92572e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53329e+03    1.04634e+05    2.83822e+05   -1.71767e+04   -2.15870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20752e+04   -1.73508e+06    3.45775e+05   -1.38931e+06   -6.60156e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10320e+02   -2.11681e+02    1.07265e+02    3.53882e-06

           Step           Time
      223245000   446490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54789e+03    1.81542e+04    1.24205e+04    1.14212e+03   -2.87770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54304e+03    1.04231e+05    2.83180e+05   -1.72488e+04   -2.16024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22053e+04   -1.73694e+06    3.46785e+05   -1.39016e+06   -6.59430e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11226e+02   -2.13460e+02    1.54370e+02    3.51483e-06

           Step           Time
      223250000   446500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55200e+03    1.85166e+04    1.23595e+04    1.11470e+03   -2.97014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50825e+03    1.03863e+05    2.80858e+05   -1.72086e+04   -2.15591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20059e+04   -1.73531e+06    3.45882e+05   -1.38943e+06   -6.58936e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10415e+02   -2.12467e+02    2.39529e+01    3.59788e-06

           Step           Time
      223255000   446510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33886e+03    1.84947e+04    1.24265e+04    1.17172e+03   -2.79629e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51426e+03    1.04312e+05    2.78417e+05   -1.71853e+04   -2.15299e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19014e+04   -1.73440e+06    3.45701e+05   -1.38870e+06   -6.58712e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10253e+02   -2.11893e+02   -6.66369e+01    3.53473e-06

           Step           Time
      223260000   446520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31621e+03    1.82554e+04    1.23683e+04    1.14979e+03   -2.82436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53656e+03    1.04265e+05    2.80841e+05   -1.71827e+04   -2.15541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20184e+04   -1.73466e+06    3.45185e+05   -1.38948e+06   -6.58554e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09790e+02   -2.11829e+02    2.21155e+01    3.65900e-06

           Step           Time
      223265000   446530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61868e+03    1.84349e+04    1.25041e+04    1.08046e+03   -2.88215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54346e+03    1.04218e+05    2.82249e+05   -1.72120e+04   -2.15792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20005e+04   -1.73536e+06    3.47508e+05   -1.38785e+06   -6.58372e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11875e+02   -2.12550e+02    8.55591e+00    3.61297e-06

           Step           Time
      223270000   446540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30224e+03    1.83617e+04    1.24402e+04    1.08494e+03   -2.92656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67320e+03    1.04241e+05    2.81076e+05   -1.72001e+04   -2.15683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20451e+04   -1.73573e+06    3.45880e+05   -1.38985e+06   -6.58229e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10414e+02   -2.12257e+02    5.68701e+01    3.58641e-06

           Step           Time
      223275000   446550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43136e+03    1.80635e+04    1.23660e+04    1.01326e+03   -2.92832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55502e+03    1.04167e+05    2.83735e+05   -1.71840e+04   -2.16109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19665e+04   -1.73791e+06    3.43396e+05   -1.39451e+06   -6.57711e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08185e+02   -2.11861e+02    3.49483e+01    3.52329e-06

           Step           Time
      223280000   446560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50737e+03    1.79094e+04    1.24479e+04    1.06161e+03   -2.81402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50179e+03    1.04165e+05    2.79180e+05   -1.71815e+04   -2.15353e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19480e+04   -1.73480e+06    3.44969e+05   -1.38983e+06   -6.58204e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09596e+02   -2.11801e+02   -5.75946e+01    3.52916e-06

           Step           Time
      223285000   446570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66928e+03    1.82075e+04    1.23177e+04    1.14796e+03   -2.92678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49415e+03    1.03901e+05    2.82595e+05   -1.72301e+04   -2.15923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21163e+04   -1.73694e+06    3.46773e+05   -1.39017e+06   -6.57519e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11215e+02   -2.12998e+02    5.49003e+01    3.44774e-06

           Step           Time
      223290000   446580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32206e+03    1.83319e+04    1.23513e+04    1.12454e+03   -3.01850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48035e+03    1.04385e+05    2.78919e+05   -1.71741e+04   -2.15428e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20471e+04   -1.73551e+06    3.45456e+05   -1.39005e+06   -6.57508e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10033e+02   -2.11617e+02   -9.01815e+01    3.45038e-06

           Step           Time
      223295000   446590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66065e+03    1.82395e+04    1.21683e+04    1.06818e+03   -2.83743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47864e+03    1.04208e+05    2.80514e+05   -1.71986e+04   -2.15808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20083e+04   -1.73777e+06    3.46030e+05   -1.39174e+06   -6.57308e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10549e+02   -2.12221e+02   -4.18915e+01    3.72627e-06

           Step           Time
      223300000   446600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.22439e+03    1.81168e+04    1.24898e+04    1.18737e+03   -2.98460e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51620e+03    1.05173e+05    2.79641e+05   -1.71860e+04   -2.15503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20364e+04   -1.73482e+06    3.46947e+05   -1.38787e+06   -6.57281e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11372e+02   -2.11910e+02   -3.41531e+01    3.68489e-06

           Step           Time
      223305000   446610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33525e+03    1.81923e+04    1.23914e+04    1.09372e+03   -2.83091e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49347e+03    1.04310e+05    2.82068e+05   -1.71999e+04   -2.15800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20056e+04   -1.73614e+06    3.46217e+05   -1.38992e+06   -6.56622e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10716e+02   -2.12254e+02    5.66264e+01    3.64901e-06

           Step           Time
      223310000   446620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87768e+03    1.82487e+04    1.23780e+04    1.05176e+03   -2.92179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44003e+03    1.04129e+05    2.79768e+05   -1.72316e+04   -2.15430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19511e+04   -1.73461e+06    3.46074e+05   -1.38853e+06   -6.56254e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10588e+02   -2.13035e+02   -1.08267e+01    3.62442e-06

           Step           Time
      223315000   446630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72097e+03    1.82453e+04    1.23766e+04    1.05444e+03   -2.98012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43077e+03    1.03972e+05    2.82022e+05   -1.72049e+04   -2.15514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19998e+04   -1.73350e+06    3.47510e+05   -1.38599e+06   -6.55891e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11877e+02   -2.12377e+02    7.18385e+01    3.42740e-06

           Step           Time
      223320000   446640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58855e+03    1.80312e+04    1.22910e+04    1.12369e+03   -2.95522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53122e+03    1.04598e+05    2.80412e+05   -1.71640e+04   -2.15579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19976e+04   -1.73533e+06    3.47541e+05   -1.38779e+06   -6.55761e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11905e+02   -2.11370e+02   -1.00715e+02    3.57535e-06

           Step           Time
      223325000   446650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35441e+03    1.83667e+04    1.23087e+04    1.04731e+03   -2.91097e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44668e+03    1.03882e+05    2.80421e+05   -1.72186e+04   -2.15542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19728e+04   -1.73575e+06    3.46660e+05   -1.38909e+06   -6.55410e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11113e+02   -2.12715e+02    1.81753e+01    3.53744e-06

           Step           Time
      223330000   446660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55553e+03    1.79026e+04    1.23775e+04    1.03115e+03   -2.93494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43222e+03    1.04228e+05    2.82978e+05   -1.72150e+04   -2.15990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21035e+04   -1.73744e+06    3.45067e+05   -1.39237e+06   -6.54878e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09684e+02   -2.12626e+02    1.38273e+02    3.38563e-06

           Step           Time
      223335000   446670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47933e+03    1.81664e+04    1.23172e+04    1.06263e+03   -2.86035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39254e+03    1.04086e+05    2.80563e+05   -1.71944e+04   -2.15514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20435e+04   -1.73508e+06    3.45268e+05   -1.38981e+06   -6.54664e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09865e+02   -2.12117e+02    1.31135e+01    3.38988e-06

           Step           Time
      223340000   446680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79436e+03    1.85188e+04    1.24853e+04    1.14040e+03   -2.87005e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44352e+03    1.03720e+05    2.78130e+05   -1.71967e+04   -2.15182e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19515e+04   -1.73371e+06    3.46292e+05   -1.38742e+06   -6.54474e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10783e+02   -2.12174e+02   -1.30400e+02    3.48708e-06

           Step           Time
      223345000   446690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61664e+03    1.80674e+04    1.25849e+04    1.11027e+03   -2.94344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59321e+03    1.03538e+05    2.79375e+05   -1.71788e+04   -2.15178e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21591e+04   -1.73286e+06    3.46842e+05   -1.38601e+06   -6.54086e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11277e+02   -2.11733e+02   -2.57424e+01    3.58327e-06

           Step           Time
      223350000   446700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45641e+03    1.81086e+04    1.24689e+04    1.02581e+03   -2.81078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54953e+03    1.04288e+05    2.82161e+05   -1.71988e+04   -2.15825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18406e+04   -1.73636e+06    3.43355e+05   -1.39301e+06   -6.53579e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08148e+02   -2.12227e+02    2.77380e+01    3.39395e-06

           Step           Time
      223355000   446710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71414e+03    1.80377e+04    1.24695e+04    1.06887e+03   -2.89557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41397e+03    1.03735e+05    2.80608e+05   -1.72340e+04   -2.15404e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20142e+04   -1.73411e+06    3.45220e+05   -1.38889e+06   -6.53501e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09822e+02   -2.13094e+02    1.41453e+01    3.54532e-06

           Step           Time
      223360000   446720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47380e+03    1.80482e+04    1.22853e+04    1.01462e+03   -3.01445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55778e+03    1.04067e+05    2.82992e+05   -1.72042e+04   -2.15876e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18979e+04   -1.73664e+06    3.44856e+05   -1.39178e+06   -6.53298e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09495e+02   -2.12359e+02    1.16538e+02    3.52471e-06

           Step           Time
      223365000   446730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42933e+03    1.82347e+04    1.27307e+04    1.09024e+03   -2.92064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54026e+03    1.03727e+05    2.80640e+05   -1.72041e+04   -2.15514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20016e+04   -1.73487e+06    3.46155e+05   -1.38872e+06   -6.52905e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10661e+02   -2.12357e+02    2.28892e+01    3.49054e-06

           Step           Time
      223370000   446740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54183e+03    1.84368e+04    1.25095e+04    1.03092e+03   -2.91242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50432e+03    1.03743e+05    2.79652e+05   -1.71877e+04   -2.15253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21203e+04   -1.73310e+06    3.46761e+05   -1.38634e+06   -6.53062e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11204e+02   -2.11952e+02   -6.77894e+00    3.47025e-06

           Step           Time
      223375000   446750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40531e+03    1.85495e+04    1.24240e+04    1.10439e+03   -2.95075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35423e+03    1.03563e+05    2.81253e+05   -1.71664e+04   -2.15327e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20531e+04   -1.73268e+06    3.46719e+05   -1.38596e+06   -6.52782e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11167e+02   -2.11428e+02    3.46269e+01    3.54569e-06

           Step           Time
      223380000   446760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52085e+03    1.81950e+04    1.23459e+04    1.13874e+03   -2.92057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56707e+03    1.03648e+05    2.79629e+05   -1.71772e+04   -2.15190e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20609e+04   -1.73290e+06    3.45370e+05   -1.38753e+06   -6.52401e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09956e+02   -2.11692e+02    2.03054e+00    3.47118e-06

           Step           Time
      223385000   446770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63363e+03    1.82882e+04    1.25200e+04    1.19803e+03   -2.92312e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45517e+03    1.03668e+05    2.82263e+05   -1.71626e+04   -2.15761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21157e+04   -1.73556e+06    3.45992e+05   -1.38956e+06   -6.52435e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10515e+02   -2.11334e+02    4.15646e+01    3.54538e-06

           Step           Time
      223390000   446780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62812e+03    1.79628e+04    1.24577e+04    1.12600e+03   -2.95028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54409e+03    1.04886e+05    2.83163e+05   -1.72008e+04   -2.15922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21385e+04   -1.73546e+06    3.48044e+05   -1.38742e+06   -6.51832e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12356e+02   -2.12274e+02    5.39525e+01    3.51340e-06

           Step           Time
      223395000   446790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48466e+03    1.82224e+04    1.23844e+04    1.10042e+03   -2.95084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48173e+03    1.04420e+05    2.79875e+05   -1.72062e+04   -2.15550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20603e+04   -1.73563e+06    3.45673e+05   -1.38996e+06   -6.51694e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10228e+02   -2.12409e+02   -6.33163e-02    3.49635e-06

           Step           Time
      223400000   446800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45313e+03    1.82630e+04    1.23381e+04    1.06260e+03   -2.96460e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34587e+03    1.04144e+05    2.80273e+05   -1.72297e+04   -2.15680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19671e+04   -1.73715e+06    3.46068e+05   -1.39108e+06   -6.51475e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10583e+02   -2.12988e+02   -8.51624e+00    3.52984e-06

           Step           Time
      223405000   446810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43279e+03    1.80248e+04    1.23709e+04    9.46480e+02   -2.95644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49739e+03    1.04052e+05    2.82401e+05   -1.72101e+04   -2.15791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18081e+04   -1.73654e+06    3.44606e+05   -1.39194e+06   -6.51465e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09271e+02   -2.12503e+02    9.33000e+01    3.58142e-06

           Step           Time
      223410000   446820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58604e+03    1.79758e+04    1.26223e+04    1.07921e+03   -2.93624e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47604e+03    1.04596e+05    2.81822e+05   -1.72008e+04   -2.15734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21102e+04   -1.73521e+06    3.46382e+05   -1.38883e+06   -6.51044e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10864e+02   -2.12274e+02    3.08824e+01    3.65085e-06

           Step           Time
      223415000   446830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66323e+03    1.82523e+04    1.25692e+04    1.11615e+03   -3.03607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44336e+03    1.04061e+05    2.82258e+05   -1.72231e+04   -2.15738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19729e+04   -1.73530e+06    3.45816e+05   -1.38948e+06   -6.50536e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10356e+02   -2.12825e+02    1.38784e+02    3.48471e-06

           Step           Time
      223420000   446840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55761e+03    1.80551e+04    1.22705e+04    1.13875e+03   -2.79276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41097e+03    1.04094e+05    2.79528e+05   -1.72003e+04   -2.15245e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18932e+04   -1.73349e+06    3.46183e+05   -1.38731e+06   -6.50384e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10685e+02   -2.12262e+02    1.34128e+01    3.58705e-06

           Step           Time
      223425000   446850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55246e+03    1.84572e+04    1.25835e+04    1.11055e+03   -2.94166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51477e+03    1.04379e+05    2.81402e+05   -1.72035e+04   -2.15389e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19332e+04   -1.73210e+06    3.46897e+05   -1.38520e+06   -6.50009e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11327e+02   -2.12340e+02    5.99785e+01    3.57159e-06

           Step           Time
      223430000   446860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53695e+03    1.81826e+04    1.25659e+04    1.09040e+03   -2.91923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57723e+03    1.04045e+05    2.85194e+05   -1.72110e+04   -2.16057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19395e+04   -1.73557e+06    3.46566e+05   -1.38901e+06   -6.49404e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11029e+02   -2.12526e+02    1.77349e+02    3.62908e-06

           Step           Time
      223435000   446870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35433e+03    1.83204e+04    1.24071e+04    1.14746e+03   -2.99176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52551e+03    1.04128e+05    2.80500e+05   -1.71906e+04   -2.15573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20374e+04   -1.73550e+06    3.47137e+05   -1.38836e+06   -6.49836e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11542e+02   -2.12024e+02   -2.20774e-01    3.59347e-06

           Step           Time
      223440000   446880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35886e+03    1.82546e+04    1.23767e+04    1.10372e+03   -3.07055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56501e+03    1.04094e+05    2.79076e+05   -1.72066e+04   -2.15389e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20650e+04   -1.73528e+06    3.45371e+05   -1.38991e+06   -6.49564e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09957e+02   -2.12417e+02   -2.73192e+01    3.50159e-06

           Step           Time
      223445000   446890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59003e+03    1.85338e+04    1.22412e+04    1.04793e+03   -2.94662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52818e+03    1.03888e+05    2.80972e+05   -1.72312e+04   -2.15584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19184e+04   -1.73530e+06    3.46082e+05   -1.38922e+06   -6.48466e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10595e+02   -2.13024e+02   -1.22971e+01    3.44553e-06

           Step           Time
      223450000   446900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49554e+03    1.82016e+04    1.23531e+04    1.16082e+03   -2.90024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51665e+03    1.03931e+05    2.81265e+05   -1.71634e+04   -2.15563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18422e+04   -1.73493e+06    3.46568e+05   -1.38836e+06   -6.48460e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11031e+02   -2.11355e+02   -1.19926e+01    3.50780e-06

           Step           Time
      223455000   446910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36919e+03    1.83671e+04    1.24966e+04    1.07083e+03   -2.86875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45171e+03    1.03973e+05    2.80185e+05   -1.72466e+04   -2.15770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17787e+04   -1.73812e+06    3.46086e+05   -1.39204e+06   -6.48158e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10599e+02   -2.13405e+02   -2.69674e+01    3.65217e-06

           Step           Time
      223460000   446920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56737e+03    1.82991e+04    1.23668e+04    1.10525e+03   -2.83403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55048e+03    1.03628e+05    2.78802e+05   -1.71839e+04   -2.15505e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19424e+04   -1.73680e+06    3.47507e+05   -1.38930e+06   -6.48468e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11874e+02   -2.11858e+02   -1.12865e+02    3.65180e-06

           Step           Time
      223465000   446930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59962e+03    1.84425e+04    1.23844e+04    1.14454e+03   -2.95475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48369e+03    1.03389e+05    2.81438e+05   -1.71637e+04   -2.15586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21108e+04   -1.73498e+06    3.47912e+05   -1.38707e+06   -6.47826e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12238e+02   -2.11362e+02   -2.69723e+01    3.52576e-06

           Step           Time
      223470000   446940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57029e+03    1.81414e+04    1.25553e+04    1.06879e+03   -2.91763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50609e+03    1.03836e+05    2.82439e+05   -1.71832e+04   -2.15682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21136e+04   -1.73469e+06    3.47146e+05   -1.38755e+06   -6.47734e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11550e+02   -2.11841e+02    4.21811e+01    3.39729e-06

           Step           Time
      223475000   446950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33085e+03    1.86019e+04    1.24630e+04    1.03315e+03   -2.99102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50359e+03    1.03939e+05    2.80624e+05   -1.72281e+04   -2.15644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19083e+04   -1.73625e+06    3.45781e+05   -1.39047e+06   -6.47080e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10325e+02   -2.12948e+02    2.86754e+01    3.50479e-06

           Step           Time
      223480000   446960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52023e+03    1.83391e+04    1.22978e+04    1.03824e+03   -2.94169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35813e+03    1.03398e+05    2.81560e+05   -1.71918e+04   -2.15761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19597e+04   -1.73727e+06    3.45592e+05   -1.39168e+06   -6.46885e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10155e+02   -2.12052e+02   -2.41478e+01    3.47494e-06

           Step           Time
      223485000   446970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57678e+03    1.85030e+04    1.24970e+04    1.08071e+03   -3.03306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52018e+03    1.03397e+05    2.79734e+05   -1.71665e+04   -2.15337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21615e+04   -1.73410e+06    3.48552e+05   -1.38555e+06   -6.46888e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12812e+02   -2.11431e+02   -1.11566e+01    3.44970e-06

           Step           Time
      223490000   446980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58278e+03    1.80298e+04    1.23235e+04    1.10310e+03   -2.88331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49837e+03    1.03623e+05    2.78844e+05   -1.71672e+04   -2.15243e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18858e+04   -1.73459e+06    3.45043e+05   -1.38955e+06   -6.46596e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09663e+02   -2.11448e+02   -1.37569e+02    3.53623e-06

           Step           Time
      223495000   446990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40289e+03    1.86856e+04    1.26497e+04    1.17951e+03   -3.05298e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40218e+03    1.03171e+05    2.80244e+05   -1.72048e+04   -2.15451e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19501e+04   -1.73508e+06    3.44675e+05   -1.39040e+06   -6.45806e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09332e+02   -2.12372e+02   -2.45335e+01    3.49232e-06

           Step           Time
      223500000   447000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66043e+03    1.81179e+04    1.23285e+04    1.17427e+03   -2.88048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45453e+03    1.03853e+05    2.79902e+05   -1.71687e+04   -2.15311e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19749e+04   -1.73369e+06    3.44471e+05   -1.38922e+06   -6.45862e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09150e+02   -2.11485e+02   -9.75616e+01    3.59535e-06

           Step           Time
      223505000   447010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37232e+03    1.84484e+04    1.23084e+04    1.08065e+03   -2.90030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46115e+03    1.03807e+05    2.80213e+05   -1.71726e+04   -2.15566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20317e+04   -1.73601e+06    3.44418e+05   -1.39160e+06   -6.45188e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09102e+02   -2.11580e+02   -7.87056e+01    3.38717e-06

           Step           Time
      223510000   447020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32236e+03    1.86202e+04    1.23969e+04    1.10811e+03   -2.93400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37328e+03    1.03946e+05    2.82349e+05   -1.72160e+04   -2.15756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20922e+04   -1.73550e+06    3.46783e+05   -1.38872e+06   -6.45124e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11224e+02   -2.12650e+02    8.06140e+01    3.59787e-06

           Step           Time
      223515000   447030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45194e+03    1.81784e+04    1.23682e+04    1.07085e+03   -2.88701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43623e+03    1.04252e+05    2.85158e+05   -1.72184e+04   -2.16188e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17743e+04   -1.73730e+06    3.46701e+05   -1.39059e+06   -6.44816e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11151e+02   -2.12710e+02    1.67190e+02    3.66580e-06

           Step           Time
      223520000   447040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33400e+03    1.84979e+04    1.23146e+04    1.03921e+03   -2.82602e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54199e+03    1.03454e+05    2.80759e+05   -1.71788e+04   -2.15649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20281e+04   -1.73652e+06    3.46999e+05   -1.38953e+06   -6.44769e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11418e+02   -2.11733e+02    4.45618e+00    3.53754e-06

           Step           Time
      223525000   447050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41097e+03    1.82759e+04    1.25488e+04    1.10602e+03   -2.93340e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36834e+03    1.03796e+05    2.80291e+05   -1.71653e+04   -2.15438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21344e+04   -1.73455e+06    3.46297e+05   -1.38825e+06   -6.44480e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10788e+02   -2.11402e+02   -6.66405e+01    3.55883e-06

           Step           Time
      223530000   447060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48743e+03    1.83405e+04    1.26170e+04    1.08566e+03   -2.89404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37644e+03    1.03715e+05    2.79213e+05   -1.71982e+04   -2.15532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20317e+04   -1.73654e+06    3.45921e+05   -1.39062e+06   -6.44029e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10450e+02   -2.12210e+02   -1.14703e+02    3.67232e-06

           Step           Time
      223535000   447070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48301e+03    1.84147e+04    1.23685e+04    1.15026e+03   -2.94528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52531e+03    1.03572e+05    2.81346e+05   -1.72394e+04   -2.15547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20812e+04   -1.73471e+06    3.47058e+05   -1.38765e+06   -6.43875e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11471e+02   -2.13228e+02    8.64362e+01    3.47263e-06

           Step           Time
      223540000   447080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51497e+03    1.82592e+04    1.24465e+04    1.14254e+03   -2.82525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42433e+03    1.03633e+05    2.80601e+05   -1.72027e+04   -2.15436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19061e+04   -1.73446e+06    3.45403e+05   -1.38906e+06   -6.43552e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09986e+02   -2.12321e+02    2.53061e+01    3.55603e-06

           Step           Time
      223545000   447090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56905e+03    1.85227e+04    1.22634e+04    1.03528e+03   -2.84470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44885e+03    1.03665e+05    2.78835e+05   -1.71550e+04   -2.15344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20670e+04   -1.73504e+06    3.45812e+05   -1.38922e+06   -6.43188e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10352e+02   -2.11147e+02   -9.92270e+01    3.35322e-06

           Step           Time
      223550000   447100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61326e+03    1.81477e+04    1.24943e+04    1.04607e+03   -2.99326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47477e+03    1.03960e+05    2.77721e+05   -1.71789e+04   -2.15226e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19666e+04   -1.73501e+06    3.48046e+05   -1.38696e+06   -6.43591e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12357e+02   -2.11735e+02   -1.20795e+02    3.55445e-06

           Step           Time
      223555000   447110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47920e+03    1.81653e+04    1.24008e+04    1.06017e+03   -2.89507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54231e+03    1.03792e+05    2.80889e+05   -1.72474e+04   -2.15581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20482e+04   -1.73558e+06    3.48576e+05   -1.38700e+06   -6.42716e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12833e+02   -2.13426e+02    6.32007e+01    3.50261e-06

           Step           Time
      223560000   447120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36941e+03    1.81336e+04    1.24505e+04    1.06478e+03   -2.80616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45523e+03    1.03762e+05    2.80094e+05   -1.71893e+04   -2.15643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19620e+04   -1.73713e+06    3.46691e+05   -1.39044e+06   -6.42342e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11142e+02   -2.11991e+02   -2.26474e+01    3.56878e-06

           Step           Time
      223565000   447130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35875e+03    1.83678e+04    1.23669e+04    1.10457e+03   -2.89053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52337e+03    1.04112e+05    2.81676e+05   -1.71901e+04   -2.15630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20134e+04   -1.73485e+06    3.46579e+05   -1.38827e+06   -6.42002e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11041e+02   -2.12011e+02    4.55207e+01    3.57297e-06

           Step           Time
      223570000   447140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31087e+03    1.84339e+04    1.23696e+04    1.11051e+03   -2.99704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58989e+03    1.03809e+05    2.82494e+05   -1.71885e+04   -2.15781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18972e+04   -1.73598e+06    3.47033e+05   -1.38894e+06   -6.41954e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11449e+02   -2.11973e+02    3.68017e+01    3.57061e-06

           Step           Time
      223575000   447150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63449e+03    1.82656e+04    1.23056e+04    1.06511e+03   -2.90002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41614e+03    1.03538e+05    2.81189e+05   -1.72203e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20403e+04   -1.73540e+06    3.46736e+05   -1.38867e+06   -6.41531e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11182e+02   -2.12756e+02    4.26647e+01    3.58346e-06

           Step           Time
      223580000   447160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46915e+03    1.83601e+04    1.24659e+04    1.11392e+03   -2.95694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60938e+03    1.03809e+05    2.80493e+05   -1.71762e+04   -2.15377e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19720e+04   -1.73361e+06    3.48301e+05   -1.38531e+06   -6.41535e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12587e+02   -2.11670e+02    4.14917e+01    3.76692e-06

           Step           Time
      223585000   447170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56422e+03    1.79094e+04    1.25479e+04    1.06784e+03   -2.85560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55734e+03    1.04141e+05    2.80867e+05   -1.72388e+04   -2.15668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20621e+04   -1.73605e+06    3.47516e+05   -1.38854e+06   -6.41018e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11882e+02   -2.13212e+02    2.85615e+01    3.65957e-06

           Step           Time
      223590000   447180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71775e+03    1.83101e+04    1.25259e+04    1.05836e+03   -3.05043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55156e+03    1.04020e+05    2.80515e+05   -1.71679e+04   -2.15311e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19703e+04   -1.73266e+06    3.47271e+05   -1.38539e+06   -6.40570e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11662e+02   -2.11464e+02   -2.91077e+01    3.62265e-06

           Step           Time
      223595000   447190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71279e+03    1.84694e+04    1.24784e+04    1.03097e+03   -3.06407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47916e+03    1.03520e+05    2.80418e+05   -1.72151e+04   -2.15599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20483e+04   -1.73611e+06    3.46124e+05   -1.38999e+06   -6.40376e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10633e+02   -2.12628e+02    1.73815e+01    3.44402e-06

           Step           Time
      223600000   447200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40452e+03    1.86133e+04    1.24053e+04    1.05338e+03   -2.97113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36158e+03    1.03326e+05    2.81572e+05   -1.71858e+04   -2.15725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18845e+04   -1.73679e+06    3.45968e+05   -1.39082e+06   -6.40084e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10493e+02   -2.11906e+02   -4.69227e+01    3.47942e-06

           Step           Time
      223605000   447210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69052e+03    1.84571e+04    1.23138e+04    1.10661e+03   -2.92034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51986e+03    1.03579e+05    2.81785e+05   -1.72306e+04   -2.15600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21575e+04   -1.73454e+06    3.45731e+05   -1.38881e+06   -6.39366e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10280e+02   -2.13010e+02    7.95398e+01    3.61839e-06

           Step           Time
      223610000   447220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45980e+03    1.82766e+04    1.23568e+04    1.08792e+03   -3.04085e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45690e+03    1.04161e+05    2.80141e+05   -1.71832e+04   -2.15590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17686e+04   -1.73642e+06    3.45461e+05   -1.39095e+06   -6.39176e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10038e+02   -2.11843e+02   -9.86396e+01    3.55522e-06

           Step           Time
      223615000   447230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47708e+03    1.81762e+04    1.23860e+04    1.06198e+03   -2.87021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51885e+03    1.03565e+05    2.80164e+05   -1.71735e+04   -2.15431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20429e+04   -1.73496e+06    3.46238e+05   -1.38872e+06   -6.39292e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10735e+02   -2.11601e+02    1.63881e+01    3.62442e-06

           Step           Time
      223620000   447240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45358e+03    1.87229e+04    1.22673e+04    1.08832e+03   -2.90732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51252e+03    1.04062e+05    2.81597e+05   -1.71879e+04   -2.15495e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19813e+04   -1.73336e+06    3.48696e+05   -1.38467e+06   -6.38919e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12941e+02   -2.11958e+02    2.01887e+01    3.62677e-06

           Step           Time
      223625000   447250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62887e+03    1.86387e+04    1.23667e+04    9.85479e+02   -2.95194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46963e+03    1.03981e+05    2.81594e+05   -1.71824e+04   -2.15615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21248e+04   -1.73449e+06    3.47420e+05   -1.38707e+06   -6.38340e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11796e+02   -2.11822e+02    2.72906e+01    3.65083e-06

           Step           Time
      223630000   447260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56051e+03    1.84352e+04    1.24236e+04    1.01596e+03   -2.88205e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39561e+03    1.03649e+05    2.81402e+05   -1.72120e+04   -2.15418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20723e+04   -1.73331e+06    3.45222e+05   -1.38809e+06   -6.38438e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09823e+02   -2.12552e+02    9.59103e+01    3.68607e-06

Writing checkpoint, step 223631600 at Fri Dec  1 19:23:07 2023


           Step           Time
      223635000   447270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52991e+03    1.82795e+04    1.25275e+04    1.13923e+03   -2.80594e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42518e+03    1.03867e+05    2.80882e+05   -1.71819e+04   -2.15518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20785e+04   -1.73444e+06    3.47136e+05   -1.38730e+06   -6.38162e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11541e+02   -2.11809e+02   -2.60252e+01    3.57298e-06

           Step           Time
      223640000   447280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25486e+03    1.83058e+04    1.25148e+04    1.10666e+03   -2.87096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60190e+03    1.04038e+05    2.79766e+05   -1.71957e+04   -2.15381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19284e+04   -1.73436e+06    3.45992e+05   -1.38837e+06   -6.38000e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10514e+02   -2.12149e+02    9.46490e+01    3.56429e-06

           Step           Time
      223645000   447290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59843e+03    1.87290e+04    1.24242e+04    1.07197e+03   -2.99144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45305e+03    1.04126e+05    2.79757e+05   -1.71580e+04   -2.15342e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21773e+04   -1.73323e+06    3.46688e+05   -1.38655e+06   -6.37326e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11139e+02   -2.11221e+02   -4.31378e+01    3.72344e-06

           Step           Time
      223650000   447300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32253e+03    1.83853e+04    1.23288e+04    1.08988e+03   -2.93111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57263e+03    1.03842e+05    2.79139e+05   -1.71878e+04   -2.15468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20015e+04   -1.73612e+06    3.47955e+05   -1.38816e+06   -6.37730e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12276e+02   -2.11955e+02   -7.18391e+01    3.60839e-06

           Step           Time
      223655000   447310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75825e+03    1.87475e+04    1.26862e+04    1.11083e+03   -3.00379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42769e+03    1.03626e+05    2.83944e+05   -1.71909e+04   -2.15814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19999e+04   -1.73403e+06    3.47093e+05   -1.38694e+06   -6.36660e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11502e+02   -2.12032e+02    8.09200e+01    3.60771e-06

           Step           Time
      223660000   447320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70860e+03    1.82288e+04    1.22278e+04    1.19383e+03   -2.99754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54430e+03    1.03748e+05    2.78024e+05   -1.71566e+04   -2.15013e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20227e+04   -1.73258e+06    3.46162e+05   -1.38642e+06   -6.36364e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10667e+02   -2.11187e+02   -1.31338e+02    3.57010e-06

           Step           Time
      223665000   447330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26884e+03    1.83476e+04    1.24038e+04    1.12565e+03   -2.96417e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58039e+03    1.04462e+05    2.78427e+05   -1.71794e+04   -2.15147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20527e+04   -1.73294e+06    3.43932e+05   -1.38901e+06   -6.35860e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08666e+02   -2.11748e+02   -6.15275e+01    3.54059e-06

           Step           Time
      223670000   447340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28566e+03    1.82867e+04    1.25389e+04    1.10283e+03   -2.85965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46155e+03    1.03839e+05    2.79419e+05   -1.71581e+04   -2.15337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19931e+04   -1.73446e+06    3.45301e+05   -1.38916e+06   -6.36065e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09894e+02   -2.11224e+02   -5.94517e+01    3.78526e-06

           Step           Time
      223675000   447350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72406e+03    1.83268e+04    1.25984e+04    1.11177e+03   -2.90621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45899e+03    1.04328e+05    2.80320e+05   -1.71698e+04   -2.15375e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18556e+04   -1.73310e+06    3.47214e+05   -1.38589e+06   -6.35425e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11611e+02   -2.11512e+02   -5.41533e+01    3.44598e-06

           Step           Time
      223680000   447360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42395e+03    1.85955e+04    1.23517e+04    1.13670e+03   -2.90483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54943e+03    1.03659e+05    2.80506e+05   -1.71968e+04   -2.15437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20285e+04   -1.73422e+06    3.48429e+05   -1.38579e+06   -6.35189e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12702e+02   -2.12176e+02   -5.39116e+00    3.61974e-06

           Step           Time
      223685000   447370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58080e+03    1.82530e+04    1.22429e+04    1.02646e+03   -2.94407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57831e+03    1.04449e+05    2.80326e+05   -1.72236e+04   -2.15661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18834e+04   -1.73644e+06    3.46229e+05   -1.39021e+06   -6.34760e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10727e+02   -2.12836e+02    7.67778e+00    3.49229e-06

           Step           Time
      223690000   447380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48950e+03    1.82282e+04    1.24702e+04    1.00990e+03   -2.86806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43640e+03    1.03895e+05    2.80923e+05   -1.71788e+04   -2.15667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20769e+04   -1.73619e+06    3.45918e+05   -1.39027e+06   -6.34622e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10448e+02   -2.11732e+02   -7.01542e+01    3.42627e-06

           Step           Time
      223695000   447390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44997e+03    1.82050e+04    1.22676e+04    1.09944e+03   -2.80313e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.30008e+03    1.03700e+05    2.78995e+05   -1.71690e+04   -2.15255e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21579e+04   -1.73435e+06    3.44928e+05   -1.38942e+06   -6.34526e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09560e+02   -2.11491e+02   -9.27130e+01    3.54075e-06

           Step           Time
      223700000   447400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49457e+03    1.82452e+04    1.21646e+04    1.10513e+03   -2.79712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52019e+03    1.04133e+05    2.82481e+05   -1.71967e+04   -2.15645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19126e+04   -1.73438e+06    3.46444e+05   -1.38794e+06   -6.34268e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10920e+02   -2.12174e+02    7.47278e+01    3.56533e-06

           Step           Time
      223705000   447410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58112e+03    1.89804e+04    1.23630e+04    1.12734e+03   -2.95490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38752e+03    1.04007e+05    2.81272e+05   -1.71696e+04   -2.15493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22066e+04   -1.73313e+06    3.47016e+05   -1.38611e+06   -6.33299e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11434e+02   -2.11508e+02    7.78995e+00    3.75557e-06

           Step           Time
      223710000   447420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24668e+03    1.81775e+04    1.25086e+04    1.07795e+03   -2.89378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57498e+03    1.03977e+05    2.82141e+05   -1.72213e+04   -2.15802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19752e+04   -1.73645e+06    3.47440e+05   -1.38901e+06   -6.34098e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11814e+02   -2.12781e+02    1.29923e+02    3.59146e-06

           Step           Time
      223715000   447430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50132e+03    1.81441e+04    1.25113e+04    1.11120e+03   -2.83995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51211e+03    1.03904e+05    2.80497e+05   -1.71739e+04   -2.15545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18544e+04   -1.73543e+06    3.46292e+05   -1.38914e+06   -6.34139e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10784e+02   -2.11613e+02   -2.70573e+01    3.63672e-06

           Step           Time
      223720000   447440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55870e+03    1.83026e+04    1.24293e+04    1.07042e+03   -2.94509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40315e+03    1.04233e+05    2.80694e+05   -1.71956e+04   -2.15749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19904e+04   -1.73695e+06    3.47431e+05   -1.38951e+06   -6.33671e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11806e+02   -2.12146e+02   -4.26823e+01    3.67072e-06

           Step           Time
      223725000   447450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92077e+03    1.81097e+04    1.24272e+04    1.06358e+03   -2.96491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34441e+03    1.03824e+05    2.81935e+05   -1.71872e+04   -2.15622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19303e+04   -1.73482e+06    3.45628e+05   -1.38919e+06   -6.33149e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10188e+02   -2.11939e+02    5.17418e+01    3.53576e-06

           Step           Time
      223730000   447460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46715e+03    1.82322e+04    1.22994e+04    1.08163e+03   -2.86481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48393e+03    1.03874e+05    2.78147e+05   -1.71817e+04   -2.15100e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18025e+04   -1.73366e+06    3.46356e+05   -1.38730e+06   -6.33042e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10841e+02   -2.11805e+02   -4.07444e+01    3.49879e-06

           Step           Time
      223735000   447470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59786e+03    1.80513e+04    1.24418e+04    1.03566e+03   -2.95504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54294e+03    1.04305e+05    2.83930e+05   -1.72227e+04   -2.16200e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19576e+04   -1.73832e+06    3.45939e+05   -1.39238e+06   -6.32106e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10467e+02   -2.12815e+02    1.59504e+02    3.55239e-06

           Step           Time
      223740000   447480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47181e+03    1.86281e+04    1.24086e+04    1.11767e+03   -2.95017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50653e+03    1.04447e+05    2.78796e+05   -1.71508e+04   -2.15244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22629e+04   -1.73290e+06    3.48525e+05   -1.38438e+06   -6.31710e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12787e+02   -2.11044e+02   -5.24139e+01    3.53708e-06

           Step           Time
      223745000   447490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46532e+03    1.81101e+04    1.23394e+04    1.10750e+03   -2.78060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54065e+03    1.04443e+05    2.80331e+05   -1.71864e+04   -2.15442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20171e+04   -1.73403e+06    3.45838e+05   -1.38819e+06   -6.31889e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10377e+02   -2.11920e+02    5.43641e+01    3.59281e-06

           Step           Time
      223750000   447500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57728e+03    1.79359e+04    1.23903e+04    1.10584e+03   -2.77508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48401e+03    1.04526e+05    2.81687e+05   -1.72096e+04   -2.15751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20113e+04   -1.73578e+06    3.46454e+05   -1.38932e+06   -6.31382e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10929e+02   -2.12491e+02    3.36423e+01    3.52397e-06

           Step           Time
      223755000   447510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34738e+03    1.80628e+04    1.22993e+04    1.08972e+03   -2.85175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58202e+03    1.04750e+05    2.82098e+05   -1.72087e+04   -2.15812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19176e+04   -1.73603e+06    3.46680e+05   -1.38935e+06   -6.31194e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11132e+02   -2.12469e+02    1.03912e+02    3.65475e-06

           Step           Time
      223760000   447520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39925e+03    1.80541e+04    1.24504e+04    1.09050e+03   -2.86217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56582e+03    1.04732e+05    2.80600e+05   -1.71677e+04   -2.15540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21146e+04   -1.73443e+06    3.47329e+05   -1.38710e+06   -6.31235e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11714e+02   -2.11460e+02   -5.84105e+01    3.53474e-06

           Step           Time
      223765000   447530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62080e+03    1.80227e+04    1.23576e+04    1.16234e+03   -2.94018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46072e+03    1.03666e+05    2.83287e+05   -1.72120e+04   -2.15941e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19635e+04   -1.73702e+06    3.45721e+05   -1.39130e+06   -6.30649e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10272e+02   -2.12552e+02    6.88542e+01    3.51588e-06

           Step           Time
      223770000   447540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47943e+03    1.82973e+04    1.22826e+04    1.08481e+03   -2.87199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32168e+03    1.03624e+05    2.79783e+05   -1.72081e+04   -2.15604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18575e+04   -1.73739e+06    3.45929e+05   -1.39146e+06   -6.30534e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10458e+02   -2.12455e+02   -1.05050e+02    3.62520e-06

           Step           Time
      223775000   447550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80441e+03    1.82312e+04    1.22759e+04    1.04788e+03   -2.80044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38430e+03    1.04140e+05    2.79666e+05   -1.72223e+04   -2.15463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18904e+04   -1.73521e+06    3.46434e+05   -1.38878e+06   -6.29615e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10911e+02   -2.12804e+02   -9.18106e+01    3.26672e-06

           Step           Time
      223780000   447560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56767e+03    1.82847e+04    1.24858e+04    1.06350e+03   -2.85368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58519e+03    1.04147e+05    2.80297e+05   -1.71961e+04   -2.15517e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18800e+04   -1.73491e+06    3.48152e+05   -1.38676e+06   -6.30294e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12453e+02   -2.12159e+02    2.14807e+01    3.59614e-06

           Step           Time
      223785000   447570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60505e+03    1.80064e+04    1.22073e+04    1.06116e+03   -2.86231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53643e+03    1.04348e+05    2.82520e+05   -1.71954e+04   -2.15973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20178e+04   -1.73749e+06    3.46162e+05   -1.39133e+06   -6.29809e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10667e+02   -2.12142e+02    8.93808e+01    3.35204e-06

           Step           Time
      223790000   447580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29200e+03    1.87741e+04    1.23715e+04    1.17997e+03   -2.92044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55072e+03    1.04253e+05    2.80936e+05   -1.71754e+04   -2.15658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18058e+04   -1.73551e+06    3.47778e+05   -1.38773e+06   -6.29578e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12118e+02   -2.11649e+02    5.19680e+01    3.60896e-06

           Step           Time
      223795000   447590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48972e+03    1.85263e+04    1.24231e+04    1.11208e+03   -3.09608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58285e+03    1.04554e+05    2.79431e+05   -1.71524e+04   -2.15352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20940e+04   -1.73355e+06    3.48184e+05   -1.38537e+06   -6.28962e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12482e+02   -2.11083e+02   -3.87532e+01    3.48356e-06

           Step           Time
      223800000   447600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43610e+03    1.78283e+04    1.24849e+04    1.07613e+03   -2.94842e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47700e+03    1.04251e+05    2.80852e+05   -1.72100e+04   -2.15853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17677e+04   -1.73851e+06    3.44945e+05   -1.39357e+06   -6.29501e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09575e+02   -2.12502e+02   -5.55924e+01    3.52108e-06

           Step           Time
      223805000   447610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53368e+03    1.82693e+04    1.25169e+04    1.18162e+03   -2.81881e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62114e+03    1.04273e+05    2.78893e+05   -1.71779e+04   -2.15437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19360e+04   -1.73515e+06    3.47158e+05   -1.38799e+06   -6.29252e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11561e+02   -2.11712e+02   -6.46337e+00    3.76531e-06

           Step           Time
      223810000   447620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48791e+03    1.81220e+04    1.24461e+04    1.07478e+03   -2.83340e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52985e+03    1.04254e+05    2.80186e+05   -1.72055e+04   -2.15607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19321e+04   -1.73608e+06    3.45436e+05   -1.39064e+06   -6.28602e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10015e+02   -2.12390e+02   -2.13562e+01    3.44586e-06

           Step           Time
      223815000   447630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57812e+03    1.81190e+04    1.24511e+04    1.21047e+03   -2.86172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50964e+03    1.04112e+05    2.80144e+05   -1.71826e+04   -2.15400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20226e+04   -1.73389e+06    3.46857e+05   -1.38704e+06   -6.28689e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11291e+02   -2.11826e+02   -4.09968e+01    3.50994e-06

           Step           Time
      223820000   447640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31372e+03    1.81016e+04    1.23861e+04    1.14470e+03   -2.82013e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60722e+03    1.04312e+05    2.80691e+05   -1.71966e+04   -2.15681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19026e+04   -1.73636e+06    3.47175e+05   -1.38919e+06   -6.28238e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11576e+02   -2.12172e+02    3.57533e+01    3.61886e-06

           Step           Time
      223825000   447650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45478e+03    1.81340e+04    1.22722e+04    1.15040e+03   -2.86581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56221e+03    1.04548e+05    2.81019e+05   -1.72078e+04   -2.15540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19259e+04   -1.73441e+06    3.47188e+05   -1.38722e+06   -6.28174e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11587e+02   -2.12448e+02    4.54886e+01    3.64750e-06

           Step           Time
      223830000   447660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79331e+03    1.86824e+04    1.24589e+04    1.08481e+03   -2.89120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48251e+03    1.03839e+05    2.81865e+05   -1.71946e+04   -2.15539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20283e+04   -1.73325e+06    3.46403e+05   -1.38684e+06   -6.27282e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10883e+02   -2.12122e+02   -2.50592e+01    3.51991e-06

           Step           Time
      223835000   447670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50896e+03    1.82405e+04    1.23080e+04    1.16902e+03   -2.80371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60569e+03    1.04409e+05    2.81456e+05   -1.71911e+04   -2.15586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19844e+04   -1.73418e+06    3.47957e+05   -1.38622e+06   -6.27690e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12278e+02   -2.12036e+02    5.59441e+01    3.74958e-06

           Step           Time
      223840000   447680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49271e+03    1.86633e+04    1.25747e+04    1.09915e+03   -2.95924e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40434e+03    1.04231e+05    2.82361e+05   -1.71977e+04   -2.15720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19949e+04   -1.73453e+06    3.48386e+05   -1.38615e+06   -6.27576e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12663e+02   -2.12199e+02    6.53615e+01    3.56876e-06

           Step           Time
      223845000   447690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32381e+03    1.84558e+04    1.22133e+04    1.01610e+03   -2.86552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63958e+03    1.04319e+05    2.83467e+05   -1.71981e+04   -2.15870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17568e+04   -1.73558e+06    3.47370e+05   -1.38821e+06   -6.27248e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11751e+02   -2.12210e+02    1.51257e+02    3.48110e-06

           Step           Time
      223850000   447700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57287e+03    1.84381e+04    1.23424e+04    9.99614e+02   -2.98653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38600e+03    1.04130e+05    2.82874e+05   -1.71991e+04   -2.15850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19246e+04   -1.73602e+06    3.47008e+05   -1.38901e+06   -6.27084e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11426e+02   -2.12234e+02    6.79064e+01    3.79512e-06

           Step           Time
      223855000   447710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69419e+03    1.81026e+04    1.22805e+04    9.90766e+02   -2.74458e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41000e+03    1.03947e+05    2.80869e+05   -1.72113e+04   -2.15747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20206e+04   -1.73711e+06    3.48427e+05   -1.38868e+06   -6.26861e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12700e+02   -2.12534e+02    3.45513e+01    3.47184e-06

           Step           Time
      223860000   447720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28881e+03    1.81046e+04    1.24602e+04    1.13587e+03   -2.93299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54638e+03    1.04113e+05    2.83143e+05   -1.72109e+04   -2.15902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19111e+04   -1.73646e+06    3.46538e+05   -1.38992e+06   -6.26345e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11004e+02   -2.12525e+02    1.42054e+02    3.58476e-06

           Step           Time
      223865000   447730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49881e+03    1.85530e+04    1.23264e+04    1.09524e+03   -2.83817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36910e+03    1.04176e+05    2.83097e+05   -1.71843e+04   -2.15731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19237e+04   -1.73429e+06    3.47648e+05   -1.38664e+06   -6.26458e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12000e+02   -2.11869e+02    5.75165e+01    3.53936e-06

           Step           Time
      223870000   447740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70658e+03    1.83694e+04    1.21266e+04    1.09468e+03   -2.82148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47265e+03    1.03903e+05    2.82918e+05   -1.71589e+04   -2.15774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18684e+04   -1.73526e+06    3.44914e+05   -1.39035e+06   -6.25668e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09547e+02   -2.11243e+02    6.06137e+01    3.43248e-06

           Step           Time
      223875000   447750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66445e+03    1.82099e+04    1.22234e+04    1.14458e+03   -2.79882e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49597e+03    1.03996e+05    2.79508e+05   -1.72198e+04   -2.15263e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19750e+04   -1.73343e+06    3.44898e+05   -1.38853e+06   -6.25596e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09533e+02   -2.12743e+02   -3.22345e+01    3.58345e-06

           Step           Time
      223880000   447760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61982e+03    1.81341e+04    1.23839e+04    1.06466e+03   -2.84285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52840e+03    1.03917e+05    2.81772e+05   -1.72143e+04   -2.15874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19300e+04   -1.73744e+06    3.45692e+05   -1.39175e+06   -6.25275e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10245e+02   -2.12608e+02   -5.46287e+01    3.25661e-06

           Step           Time
      223885000   447770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50138e+03    1.82428e+04    1.24019e+04    1.08663e+03   -2.83546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51525e+03    1.03951e+05    2.81477e+05   -1.71519e+04   -2.15582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19912e+04   -1.73464e+06    3.46449e+05   -1.38819e+06   -6.24988e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10924e+02   -2.11070e+02    4.81000e+01    3.59678e-06

           Step           Time
      223890000   447780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33451e+03    1.84854e+04    1.25461e+04    1.10109e+03   -2.97374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49775e+03    1.04022e+05    2.82512e+05   -1.72093e+04   -2.15820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20246e+04   -1.73586e+06    3.44938e+05   -1.39092e+06   -6.24649e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09569e+02   -2.12485e+02    9.40491e+01    3.52110e-06

           Step           Time
      223895000   447790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45583e+03    1.81039e+04    1.25806e+04    1.08353e+03   -2.92190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54221e+03    1.04316e+05    2.80827e+05   -1.72074e+04   -2.15500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19028e+04   -1.73432e+06    3.44315e+05   -1.39000e+06   -6.24288e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09009e+02   -2.12437e+02    3.55473e+01    3.37429e-06

           Step           Time
      223900000   447800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33705e+03    1.84889e+04    1.23747e+04    1.09611e+03   -2.87555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56371e+03    1.04217e+05    2.82751e+05   -1.71716e+04   -2.15729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18771e+04   -1.73463e+06    3.48151e+05   -1.38648e+06   -6.24300e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12452e+02   -2.11556e+02    1.38199e+02    3.61859e-06

           Step           Time
      223905000   447810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68442e+03    1.84378e+04    1.22489e+04    1.09835e+03   -2.87650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43028e+03    1.04145e+05    2.80355e+05   -1.72223e+04   -2.15454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20125e+04   -1.73423e+06    3.46945e+05   -1.38729e+06   -6.23959e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11369e+02   -2.12806e+02   -3.98652e+00    3.54451e-06

           Step           Time
      223910000   447820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52236e+03    1.83617e+04    1.25278e+04    1.09143e+03   -2.91730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44759e+03    1.03954e+05    2.79110e+05   -1.72108e+04   -2.15483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18782e+04   -1.73606e+06    3.46433e+05   -1.38963e+06   -6.23701e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10910e+02   -2.12522e+02   -7.13026e+01    3.50099e-06

           Step           Time
      223915000   447830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56716e+03    1.81035e+04    1.23350e+04    1.09600e+03   -2.72479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51869e+03    1.04219e+05    2.76611e+05   -1.71683e+04   -2.14860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21585e+04   -1.73188e+06    3.46876e+05   -1.38500e+06   -6.23592e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11308e+02   -2.11474e+02   -1.23436e+02    3.53467e-06

           Step           Time
      223920000   447840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65660e+03    1.82922e+04    1.23179e+04    1.03548e+03   -2.82164e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38946e+03    1.03908e+05    2.82331e+05   -1.72302e+04   -2.15677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18741e+04   -1.73502e+06    3.47407e+05   -1.38761e+06   -6.22881e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11784e+02   -2.13000e+02    9.84311e+01    3.50802e-06

           Step           Time
      223925000   447850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36481e+03    1.79154e+04    1.22604e+04    1.09956e+03   -2.85311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57830e+03    1.04138e+05    2.82569e+05   -1.72551e+04   -2.15722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20844e+04   -1.73531e+06    3.46238e+05   -1.38908e+06   -6.22602e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10735e+02   -2.13616e+02    1.58363e+02    3.33272e-06

           Step           Time
      223930000   447860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42779e+03    1.83625e+04    1.26165e+04    1.04828e+03   -2.82944e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50755e+03    1.04085e+05    2.84524e+05   -1.72061e+04   -2.16053e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19964e+04   -1.73600e+06    3.46023e+05   -1.38997e+06   -6.22219e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10542e+02   -2.12407e+02    1.42723e+02    3.40796e-06

           Step           Time
      223935000   447870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48280e+03    1.83237e+04    1.22406e+04    1.07972e+03   -2.89476e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56119e+03    1.04668e+05    2.80397e+05   -1.71738e+04   -2.15587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19963e+04   -1.73519e+06    3.46861e+05   -1.38833e+06   -6.21468e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11294e+02   -2.11611e+02    2.41050e+00    3.53709e-06

           Step           Time
      223940000   447880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51452e+03    1.80609e+04    1.23871e+04    1.08198e+03   -2.83899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45288e+03    1.04701e+05    2.79790e+05   -1.71279e+04   -2.15375e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19689e+04   -1.73376e+06    3.47219e+05   -1.38654e+06   -6.21798e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11616e+02   -2.10481e+02   -7.83833e+01    3.55064e-06

           Step           Time
      223945000   447890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46568e+03    1.81160e+04    1.23548e+04    1.13181e+03   -2.88506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53169e+03    1.04429e+05    2.82557e+05   -1.72251e+04   -2.15969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19355e+04   -1.73728e+06    3.46303e+05   -1.39098e+06   -6.20789e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10794e+02   -2.12875e+02    1.18002e+02    3.58268e-06

           Step           Time
      223950000   447900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59801e+03    1.81364e+04    1.23741e+04    9.80173e+02   -2.77568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40289e+03    1.03513e+05    2.79338e+05   -1.71774e+04   -2.15285e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21543e+04   -1.73430e+06    3.46375e+05   -1.38793e+06   -6.21188e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10858e+02   -2.11699e+02   -8.15436e+01    3.56497e-06

           Step           Time
      223955000   447910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30554e+03    1.85669e+04    1.25272e+04    1.10143e+03   -2.85867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53526e+03    1.04077e+05    2.81805e+05   -1.71802e+04   -2.15650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20922e+04   -1.73453e+06    3.47497e+05   -1.38703e+06   -6.20755e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11865e+02   -2.11768e+02    5.63497e+01    3.61385e-06

           Step           Time
      223960000   447920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58827e+03    1.81012e+04    1.23555e+04    1.06278e+03   -2.80680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47704e+03    1.03924e+05    2.80679e+05   -1.72083e+04   -2.15745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17424e+04   -1.73754e+06    3.47822e+05   -1.38972e+06   -6.20588e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12157e+02   -2.12460e+02   -1.77693e+01    3.44965e-06

           Step           Time
      223965000   447930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48483e+03    1.82458e+04    1.24367e+04    1.17662e+03   -2.86402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51491e+03    1.03969e+05    2.83248e+05   -1.72220e+04   -2.15825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19388e+04   -1.73532e+06    3.47330e+05   -1.38799e+06   -6.19725e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11715e+02   -2.12799e+02    8.09265e+01    3.35573e-06

           Step           Time
      223970000   447940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47237e+03    1.82949e+04    1.24046e+04    1.05028e+03   -2.68367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51972e+03    1.04379e+05    2.77775e+05   -1.71486e+04   -2.15172e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20441e+04   -1.73362e+06    3.47462e+05   -1.38616e+06   -6.19804e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11833e+02   -2.10990e+02   -9.32358e+01    3.50203e-06

           Step           Time
      223975000   447950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59089e+03    1.76971e+04    1.24532e+04    1.05824e+03   -2.81681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49616e+03    1.03708e+05    2.81286e+05   -1.72050e+04   -2.15809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19416e+04   -1.73788e+06    3.44342e+05   -1.39354e+06   -6.19131e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09034e+02   -2.12379e+02   -2.70043e+01    3.57735e-06

           Step           Time
      223980000   447960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49440e+03    1.80318e+04    1.22536e+04    1.17052e+03   -2.79019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56748e+03    1.04063e+05    2.80973e+05   -1.71542e+04   -2.15673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21295e+04   -1.73600e+06    3.46715e+05   -1.38928e+06   -6.18979e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11163e+02   -2.11128e+02   -6.93587e+01    3.46312e-06

           Step           Time
      223985000   447970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52795e+03    1.79481e+04    1.21790e+04    1.16781e+03   -2.74231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41630e+03    1.04320e+05    2.79857e+05   -1.72389e+04   -2.15743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18952e+04   -1.73810e+06    3.45876e+05   -1.39223e+06   -6.18454e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10410e+02   -2.13215e+02   -6.42462e+01    3.46393e-06

           Step           Time
      223990000   447980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81676e+03    1.82867e+04    1.23584e+04    1.01906e+03   -2.91891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.30822e+03    1.04208e+05    2.80552e+05   -1.71960e+04   -2.15620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17925e+04   -1.73597e+06    3.46199e+05   -1.38977e+06   -6.17355e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10700e+02   -2.12156e+02   -1.43430e+02    3.60408e-06

           Step           Time
      223995000   447990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53552e+03    1.84863e+04    1.24324e+04    1.10371e+03   -2.97547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45188e+03    1.04319e+05    2.79716e+05   -1.71598e+04   -2.15225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20061e+04   -1.73233e+06    3.47794e+05   -1.38454e+06   -6.17824e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12131e+02   -2.11266e+02   -8.29189e+01    3.73512e-06

           Step           Time
      224000000   448000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62171e+03    1.79570e+04    1.22881e+04    1.00846e+03   -2.87335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45659e+03    1.04680e+05    2.80254e+05   -1.71831e+04   -2.15563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19885e+04   -1.73543e+06    3.46732e+05   -1.38870e+06   -6.17368e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11179e+02   -2.11839e+02   -7.01747e+01    3.51610e-06

           Step           Time
      224005000   448010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37406e+03    1.84774e+04    1.22694e+04    1.08539e+03   -2.89410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56209e+03    1.04052e+05    2.78419e+05   -1.71993e+04   -2.15407e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19873e+04   -1.73594e+06    3.46359e+05   -1.38958e+06   -6.17032e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10844e+02   -2.12238e+02   -4.31065e+01    3.44989e-06

           Step           Time
      224010000   448020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50229e+03    1.83355e+04    1.22243e+04    1.07971e+03   -2.80610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38421e+03    1.04261e+05    2.80147e+05   -1.72126e+04   -2.15662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18910e+04   -1.73681e+06    3.43165e+05   -1.39364e+06   -6.16251e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07977e+02   -2.12565e+02   -7.09281e+01    3.44389e-06

           Step           Time
      224015000   448030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58915e+03    1.82172e+04    1.22952e+04    1.09376e+03   -2.86327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47274e+03    1.04086e+05    2.81462e+05   -1.71927e+04   -2.15528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19851e+04   -1.73413e+06    3.48275e+05   -1.38586e+06   -6.16545e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12563e+02   -2.12075e+02   -3.13065e+01    3.54390e-06

           Step           Time
      224020000   448040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24296e+03    1.81704e+04    1.23314e+04    1.11271e+03   -2.89898e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53422e+03    1.04979e+05    2.81603e+05   -1.71566e+04   -2.15610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21368e+04   -1.73404e+06    3.46790e+05   -1.38725e+06   -6.16015e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11230e+02   -2.11186e+02    9.09673e+01    3.49158e-06

           Step           Time
      224025000   448050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60192e+03    1.80728e+04    1.23528e+04    1.10709e+03   -2.92012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51610e+03    1.04292e+05    2.83145e+05   -1.72229e+04   -2.15731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20440e+04   -1.73432e+06    3.48633e+05   -1.38569e+06   -6.15909e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12885e+02   -2.12821e+02    1.58755e+02    3.60106e-06

           Step           Time
      224030000   448060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48093e+03    1.81131e+04    1.24118e+04    1.09525e+03   -2.94941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47894e+03    1.04547e+05    2.79414e+05   -1.71246e+04   -2.15278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20320e+04   -1.73328e+06    3.46870e+05   -1.38641e+06   -6.15165e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11303e+02   -2.10401e+02   -9.44891e+01    3.53946e-06

           Step           Time
      224035000   448070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41445e+03    1.80187e+04    1.22871e+04    1.11598e+03   -2.92539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44837e+03    1.04486e+05    2.81594e+05   -1.71926e+04   -2.15840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20424e+04   -1.73711e+06    3.47305e+05   -1.38981e+06   -6.15072e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11693e+02   -2.12074e+02    1.14675e+01    3.49618e-06

           Step           Time
      224040000   448080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60333e+03    1.84533e+04    1.22977e+04    1.09205e+03   -2.91240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45022e+03    1.03734e+05    2.80109e+05   -1.71616e+04   -2.15346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20794e+04   -1.73372e+06    3.45241e+05   -1.38848e+06   -6.14729e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09840e+02   -2.11310e+02   -7.99882e+01    3.66812e-06

           Step           Time
      224045000   448090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53279e+03    1.81359e+04    1.22829e+04    1.06427e+03   -2.97568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52242e+03    1.03868e+05    2.78721e+05   -1.72114e+04   -2.15540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17656e+04   -1.73769e+06    3.45496e+05   -1.39220e+06   -6.14718e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10069e+02   -2.12536e+02   -1.47893e+02    3.44208e-06

           Step           Time
      224050000   448100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37279e+03    1.83021e+04    1.24409e+04    1.11840e+03   -3.00913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51674e+03    1.04276e+05    2.81336e+05   -1.71963e+04   -2.15538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21030e+04   -1.73412e+06    3.47535e+05   -1.38658e+06   -6.14502e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11899e+02   -2.12164e+02    4.04371e+01    3.63794e-06

           Step           Time
      224055000   448110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42451e+03    1.84222e+04    1.24720e+04    1.04564e+03   -2.95728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54024e+03    1.04320e+05    2.79388e+05   -1.71431e+04   -2.15134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19497e+04   -1.73187e+06    3.45700e+05   -1.38617e+06   -6.13928e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10252e+02   -2.10854e+02   -2.09617e+01    3.71460e-06

           Step           Time
      224060000   448120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64981e+03    1.85582e+04    1.23454e+04    1.12290e+03   -2.86074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47422e+03    1.04297e+05    2.78351e+05   -1.71995e+04   -2.15072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20029e+04   -1.73198e+06    3.47448e+05   -1.38453e+06   -6.13411e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11821e+02   -2.12243e+02   -5.54622e+01    3.57696e-06

           Step           Time
      224065000   448130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64998e+03    1.79195e+04    1.22734e+04    1.08177e+03   -2.98736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45694e+03    1.04406e+05    2.82169e+05   -1.71917e+04   -2.15860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19331e+04   -1.73689e+06    3.47059e+05   -1.38983e+06   -6.13245e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11472e+02   -2.12050e+02    2.36504e+01    3.57778e-06

           Step           Time
      224070000   448140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47176e+03    1.81473e+04    1.23015e+04    1.04542e+03   -2.86732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45201e+03    1.04478e+05    2.82131e+05   -1.72440e+04   -2.16005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18646e+04   -1.73827e+06    3.46684e+05   -1.39158e+06   -6.12760e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11136e+02   -2.13340e+02    2.28339e+01    3.51739e-06

           Step           Time
      224075000   448150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64112e+03    1.84971e+04    1.23488e+04    1.03938e+03   -2.99817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36303e+03    1.03937e+05    2.80613e+05   -1.71901e+04   -2.15522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19560e+04   -1.73502e+06    3.45751e+05   -1.38927e+06   -6.12765e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10298e+02   -2.12012e+02   -3.23789e+01    3.80896e-06

           Step           Time
      224080000   448160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62541e+03    1.84524e+04    1.24332e+04    1.08306e+03   -2.88518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49283e+03    1.03887e+05    2.80586e+05   -1.71736e+04   -2.15145e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20129e+04   -1.73094e+06    3.46200e+05   -1.38474e+06   -6.12145e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10701e+02   -2.11604e+02    3.99113e+01    3.42072e-06

           Step           Time
      224085000   448170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64840e+03    1.82189e+04    1.22176e+04    1.10090e+03   -2.88583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46083e+03    1.04255e+05    2.80797e+05   -1.71840e+04   -2.15518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21373e+04   -1.73441e+06    3.47008e+05   -1.38740e+06   -6.11960e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11426e+02   -2.11861e+02   -3.05192e+01    3.38635e-06

           Step           Time
      224090000   448180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44654e+03    1.80753e+04    1.22812e+04    1.05121e+03   -2.90437e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63021e+03    1.04638e+05    2.81167e+05   -1.71837e+04   -2.15795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18287e+04   -1.73692e+06    3.46170e+05   -1.39075e+06   -6.11758e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10674e+02   -2.11854e+02    3.85458e+00    3.54403e-06

           Step           Time
      224095000   448190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48173e+03    1.80298e+04    1.22594e+04    1.07714e+03   -2.84071e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52522e+03    1.04700e+05    2.81106e+05   -1.72195e+04   -2.15863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20010e+04   -1.73751e+06    3.45436e+05   -1.39207e+06   -6.11634e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10016e+02   -2.12737e+02    2.14684e+01    3.53507e-06

           Step           Time
      224100000   448200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56363e+03    1.81352e+04    1.23035e+04    1.03336e+03   -2.85303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47878e+03    1.04209e+05    2.80444e+05   -1.71707e+04   -2.15342e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21016e+04   -1.73317e+06    3.46316e+05   -1.38685e+06   -6.11456e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10805e+02   -2.11533e+02   -5.14831e+00    3.45750e-06

           Step           Time
      224105000   448210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68659e+03    1.84708e+04    1.25426e+04    1.08503e+03   -2.94674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38317e+03    1.04633e+05    2.81367e+05   -1.71825e+04   -2.15657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19717e+04   -1.73456e+06    3.47680e+05   -1.38688e+06   -6.11198e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12029e+02   -2.11824e+02   -2.59592e+01    3.57101e-06

           Step           Time
      224110000   448220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21617e+03    1.82722e+04    1.23495e+04    1.10148e+03   -2.82743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60075e+03    1.04523e+05    2.80681e+05   -1.72060e+04   -2.15659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19865e+04   -1.73589e+06    3.46291e+05   -1.38960e+06   -6.11188e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10783e+02   -2.12404e+02    2.79050e+00    3.50479e-06

           Step           Time
      224115000   448230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74881e+03    1.82740e+04    1.23260e+04    1.10542e+03   -2.89685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51094e+03    1.04912e+05    2.83533e+05   -1.71593e+04   -2.15902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19830e+04   -1.73468e+06    3.46784e+05   -1.38789e+06   -6.10519e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11225e+02   -2.11254e+02    2.26889e+01    3.49830e-06

           Step           Time
      224120000   448240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33602e+03    1.82216e+04    1.24580e+04    1.12423e+03   -2.99581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44710e+03    1.04284e+05    2.83738e+05   -1.71705e+04   -2.15824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19400e+04   -1.73486e+06    3.46855e+05   -1.38801e+06   -6.10474e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11289e+02   -2.11529e+02    9.19206e+01    3.50824e-06

           Step           Time
      224125000   448250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29216e+03    1.81073e+04    1.22457e+04    1.07479e+03   -2.75841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60940e+03    1.04452e+05    2.82988e+05   -1.71879e+04   -2.15870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20810e+04   -1.73580e+06    3.46037e+05   -1.38976e+06   -6.10176e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10555e+02   -2.11956e+02    1.06826e+02    3.42976e-06

           Step           Time
      224130000   448260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56363e+03    1.81744e+04    1.23163e+04    1.07530e+03   -2.84922e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52637e+03    1.04114e+05    2.81827e+05   -1.71271e+04   -2.15627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20487e+04   -1.73460e+06    3.48279e+05   -1.38632e+06   -6.10214e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12567e+02   -2.10462e+02   -1.73266e+01    3.51677e-06

           Step           Time
      224135000   448270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41700e+03    1.82037e+04    1.23452e+04    9.88084e+02   -2.86057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40878e+03    1.03934e+05    2.81643e+05   -1.72031e+04   -2.15817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19229e+04   -1.73737e+06    3.45307e+05   -1.39207e+06   -6.10042e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09900e+02   -2.12331e+02   -4.10463e+01    3.53123e-06

           Step           Time
      224140000   448280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70647e+03    1.82824e+04    1.23309e+04    1.08522e+03   -2.91201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46727e+03    1.03992e+05    2.78384e+05   -1.72306e+04   -2.15417e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19527e+04   -1.73611e+06    3.46700e+05   -1.38941e+06   -6.09259e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11149e+02   -2.13011e+02   -6.94497e+01    3.50836e-06

           Step           Time
      224145000   448290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37277e+03    1.83598e+04    1.22714e+04    1.02871e+03   -2.78170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49374e+03    1.04591e+05    2.80631e+05   -1.72003e+04   -2.15415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19676e+04   -1.73342e+06    3.46946e+05   -1.38648e+06   -6.09364e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11371e+02   -2.12264e+02    2.07724e+01    3.54914e-06

           Step           Time
      224150000   448300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51788e+03    1.84404e+04    1.23340e+04    1.22227e+03   -2.89208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53137e+03    1.04109e+05    2.80172e+05   -1.71783e+04   -2.15176e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20778e+04   -1.73143e+06    3.46046e+05   -1.38538e+06   -6.09084e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10563e+02   -2.11721e+02    8.85762e+01    3.58816e-06

           Step           Time
      224155000   448310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60146e+03    1.84290e+04    1.22211e+04    1.02848e+03   -2.82726e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54218e+03    1.03764e+05    2.79476e+05   -1.71821e+04   -2.15270e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18794e+04   -1.73377e+06    3.47208e+05   -1.38656e+06   -6.08868e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11606e+02   -2.11814e+02   -2.45633e+01    3.73965e-06

           Step           Time
      224160000   448320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46866e+03    1.81937e+04    1.23978e+04    1.08562e+03   -2.89461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52596e+03    1.04389e+05    2.82379e+05   -1.72180e+04   -2.15911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19669e+04   -1.73682e+06    3.47171e+05   -1.38964e+06   -6.08941e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11573e+02   -2.12699e+02    7.41420e+01    3.43955e-06

           Step           Time
      224165000   448330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55209e+03    1.83746e+04    1.23993e+04    1.08246e+03   -2.94087e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44100e+03    1.03720e+05    2.81008e+05   -1.72097e+04   -2.15733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19820e+04   -1.73692e+06    3.44335e+05   -1.39259e+06   -6.08448e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09027e+02   -2.12494e+02   -5.37324e+01    3.35402e-06

           Step           Time
      224170000   448340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58747e+03    1.84421e+04    1.24209e+04    1.12936e+03   -2.84332e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58096e+03    1.03735e+05    2.80681e+05   -1.71790e+04   -2.15473e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20361e+04   -1.73414e+06    3.47234e+05   -1.38691e+06   -6.07940e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11629e+02   -2.11739e+02   -1.28121e+01    3.41841e-06

           Step           Time
      224175000   448350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72103e+03    1.84100e+04    1.24415e+04    1.16049e+03   -2.88204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47400e+03    1.03974e+05    2.78159e+05   -1.71958e+04   -2.15209e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20167e+04   -1.73381e+06    3.46112e+05   -1.38770e+06   -6.07712e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10622e+02   -2.12151e+02   -1.40474e+02    3.68355e-06

           Step           Time
      224180000   448360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26275e+03    1.86627e+04    1.25674e+04    1.00713e+03   -2.85347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59635e+03    1.03795e+05    2.81550e+05   -1.71898e+04   -2.15469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20578e+04   -1.73323e+06    3.47948e+05   -1.38528e+06   -6.07686e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12270e+02   -2.12004e+02    1.32045e+02    3.55240e-06

           Step           Time
      224185000   448370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41076e+03    1.85542e+04    1.25422e+04    1.11037e+03   -2.76274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54278e+03    1.03940e+05    2.79595e+05   -1.71473e+04   -2.15198e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18615e+04   -1.73233e+06    3.48104e+05   -1.38423e+06   -6.07441e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12410e+02   -2.10959e+02   -1.65623e+01    3.54227e-06

           Step           Time
      224190000   448380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26651e+03    1.84570e+04    1.23878e+04    1.10355e+03   -2.85230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52958e+03    1.04048e+05    2.78697e+05   -1.71594e+04   -2.15427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20605e+04   -1.73573e+06    3.46541e+05   -1.38919e+06   -6.06985e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11007e+02   -2.11255e+02   -3.52722e+01    3.38272e-06

           Step           Time
      224195000   448390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43376e+03    1.84120e+04    1.24296e+04    9.90763e+02   -2.90468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50832e+03    1.03605e+05    2.79917e+05   -1.72184e+04   -2.15563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19555e+04   -1.73650e+06    3.45612e+05   -1.39089e+06   -6.06492e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10173e+02   -2.12710e+02   -5.36925e+01    3.47667e-06

           Step           Time
      224200000   448400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47727e+03    1.82220e+04    1.24242e+04    1.04525e+03   -3.01827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41069e+03    1.03797e+05    2.78651e+05   -1.71565e+04   -2.15312e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21267e+04   -1.73514e+06    3.44673e+05   -1.39046e+06   -6.06401e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09330e+02   -2.11184e+02   -1.33657e+02    3.52843e-06

           Step           Time
      224205000   448410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63440e+03    1.84340e+04    1.23174e+04    1.01475e+03   -2.85597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39071e+03    1.04123e+05    2.81095e+05   -1.71899e+04   -2.15838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18681e+04   -1.73755e+06    3.47610e+05   -1.38994e+06   -6.06078e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11967e+02   -2.12006e+02   -5.39654e+01    3.57298e-06

           Step           Time
      224210000   448420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79974e+03    1.82274e+04    1.24063e+04    1.18046e+03   -2.84331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46847e+03    1.03619e+05    2.81889e+05   -1.71563e+04   -2.15691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20164e+04   -1.73530e+06    3.45669e+05   -1.38963e+06   -6.05374e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10224e+02   -2.11178e+02   -3.17086e+01    3.66567e-06

           Step           Time
      224215000   448430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01888e+03    1.84406e+04    1.24003e+04    1.09968e+03   -2.91116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41154e+03    1.03494e+05    2.80820e+05   -1.72094e+04   -2.15505e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20852e+04   -1.73440e+06    3.47218e+05   -1.38718e+06   -6.05031e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11615e+02   -2.12486e+02   -1.12679e+02    3.54106e-06

           Step           Time
      224220000   448440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54544e+03    1.81640e+04    1.24214e+04    1.13384e+03   -2.87835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54475e+03    1.03979e+05    2.78454e+05   -1.71823e+04   -2.15244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17537e+04   -1.73451e+06    3.47044e+05   -1.38747e+06   -6.05176e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11458e+02   -2.11818e+02   -1.14830e+02    3.46278e-06

           Step           Time
      224225000   448450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45179e+03    1.81340e+04    1.24149e+04    1.11861e+03   -2.89533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61348e+03    1.04472e+05    2.81861e+05   -1.72070e+04   -2.15839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20236e+04   -1.73641e+06    3.46259e+05   -1.39015e+06   -6.04568e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10754e+02   -2.12428e+02    8.85093e+01    3.65942e-06

           Step           Time
      224230000   448460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67491e+03    1.79922e+04    1.24547e+04    1.08059e+03   -2.84019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57752e+03    1.04164e+05    2.79385e+05   -1.71736e+04   -2.15431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20282e+04   -1.73497e+06    3.47553e+05   -1.38742e+06   -6.04691e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11915e+02   -2.11606e+02   -6.23504e+01    3.47928e-06

           Step           Time
      224235000   448470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43193e+03    1.80878e+04    1.24846e+04    1.10570e+03   -2.86215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42947e+03    1.03855e+05    2.77298e+05   -1.72054e+04   -2.15189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20481e+04   -1.73521e+06    3.46428e+05   -1.38878e+06   -6.04229e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10906e+02   -2.12389e+02   -1.04306e+02    3.55112e-06

           Step           Time
      224240000   448480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69904e+03    1.84001e+04    1.23697e+04    1.02164e+03   -2.82424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40403e+03    1.04064e+05    2.79678e+05   -1.71707e+04   -2.15380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21128e+04   -1.73404e+06    3.45766e+05   -1.38828e+06   -6.03698e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10311e+02   -2.11533e+02   -3.88485e+01    3.38523e-06

           Step           Time
      224245000   448490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59987e+03    1.80921e+04    1.22917e+04    1.02572e+03   -2.94526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64325e+03    1.04178e+05    2.80103e+05   -1.71780e+04   -2.15406e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19212e+04   -1.73433e+06    3.47120e+05   -1.38721e+06   -6.03520e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11527e+02   -2.11713e+02   -3.31855e+01    3.44664e-06

           Step           Time
      224250000   448500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48077e+03    1.80837e+04    1.23179e+04    1.01978e+03   -2.98644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53554e+03    1.04414e+05    2.80620e+05   -1.71848e+04   -2.15625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19209e+04   -1.73603e+06    3.45028e+05   -1.39100e+06   -6.03185e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09650e+02   -2.11882e+02   -7.17289e+01    3.43688e-06

           Step           Time
      224255000   448510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25304e+03    1.77162e+04    1.23590e+04    1.10482e+03   -2.88533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71042e+03    1.04217e+05    2.83196e+05   -1.72323e+04   -2.16151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18252e+04   -1.73924e+06    3.45207e+05   -1.39404e+06   -6.03300e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09810e+02   -2.13053e+02    1.56879e+02    3.31917e-06

           Step           Time
      224260000   448520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42393e+03    1.81649e+04    1.25268e+04    1.07452e+03   -2.93440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47645e+03    1.03955e+05    2.79816e+05   -1.71757e+04   -2.15143e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21601e+04   -1.73194e+06    3.46970e+05   -1.38497e+06   -6.03422e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11392e+02   -2.11656e+02   -1.18864e+01    3.52319e-06

           Step           Time
      224265000   448530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73280e+03    1.82091e+04    1.24344e+04    1.07756e+03   -2.89121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42063e+03    1.04119e+05    2.80040e+05   -1.72223e+04   -2.15403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19251e+04   -1.73418e+06    3.44361e+05   -1.38982e+06   -6.02319e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09051e+02   -2.12806e+02   -1.28270e+01    3.61840e-06

           Step           Time
      224270000   448540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48093e+03    1.80969e+04    1.25385e+04    1.05305e+03   -2.95729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47180e+03    1.03772e+05    2.81458e+05   -1.72343e+04   -2.15482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.16566e+04   -1.73449e+06    3.47837e+05   -1.38665e+06   -6.02651e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12171e+02   -2.13102e+02    8.61598e+01    3.74632e-06

           Step           Time
      224275000   448550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64995e+03    1.81261e+04    1.24836e+04    1.05429e+03   -2.94326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63450e+03    1.03989e+05    2.79360e+05   -1.72074e+04   -2.15400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21106e+04   -1.73475e+06    3.45892e+05   -1.38885e+06   -6.01662e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10424e+02   -2.12438e+02   -2.93587e+01    3.51353e-06

           Step           Time
      224280000   448560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55014e+03    1.80304e+04    1.22966e+04    1.08181e+03   -2.93486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54408e+03    1.04253e+05    2.79358e+05   -1.71245e+04   -2.15203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19673e+04   -1.73301e+06    3.46546e+05   -1.38646e+06   -6.01541e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11012e+02   -2.10399e+02   -2.42593e+01    3.48873e-06

           Step           Time
      224285000   448570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48873e+03    1.79841e+04    1.23244e+04    9.78027e+02   -3.01363e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60492e+03    1.04040e+05    2.80766e+05   -1.71561e+04   -2.15530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21609e+04   -1.73513e+06    3.47843e+05   -1.38728e+06   -6.01622e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12176e+02   -2.11175e+02   -1.77921e+01    3.61454e-06

           Step           Time
      224290000   448580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67921e+03    1.81100e+04    1.23175e+04    1.07808e+03   -2.84752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44514e+03    1.04377e+05    2.80965e+05   -1.71437e+04   -2.15688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20648e+04   -1.73584e+06    3.46864e+05   -1.38897e+06   -6.01049e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11297e+02   -2.10869e+02   -6.48184e+01    3.59076e-06

           Step           Time
      224295000   448590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42583e+03    1.79126e+04    1.23919e+04    1.06440e+03   -2.88881e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57762e+03    1.03870e+05    2.83688e+05   -1.71904e+04   -2.15847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20111e+04   -1.73560e+06    3.46062e+05   -1.38954e+06   -6.01102e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10577e+02   -2.12020e+02    1.13444e+02    3.47661e-06

           Step           Time
      224300000   448600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45384e+03    1.83205e+04    1.22626e+04    1.03950e+03   -2.91374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47002e+03    1.03345e+05    2.77729e+05   -1.71855e+04   -2.15193e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19963e+04   -1.73541e+06    3.46018e+05   -1.38939e+06   -6.00676e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10538e+02   -2.11897e+02   -1.80829e+02    3.39353e-06

           Step           Time
      224305000   448610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63070e+03    1.84829e+04    1.25451e+04    1.11879e+03   -2.98294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49050e+03    1.03723e+05    2.82378e+05   -1.72376e+04   -2.15743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19292e+04   -1.73536e+06    3.47284e+05   -1.38807e+06   -6.00055e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11673e+02   -2.13182e+02    4.42555e+01    3.40680e-06

Writing checkpoint, step 224307800 at Fri Dec  1 19:38:07 2023


           Step           Time
      224310000   448620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57305e+03    1.84252e+04    1.22893e+04    1.05931e+03   -3.01850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47895e+03    1.04249e+05    2.82313e+05   -1.71309e+04   -2.15634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19281e+04   -1.73417e+06    3.48591e+05   -1.38558e+06   -5.99788e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12847e+02   -2.10554e+02    2.42098e+00    3.43261e-06

           Step           Time
      224315000   448630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66509e+03    1.84430e+04    1.22022e+04    1.10076e+03   -2.94577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45199e+03    1.04082e+05    2.79719e+05   -1.72258e+04   -2.15566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21467e+04   -1.73602e+06    3.45938e+05   -1.39008e+06   -5.99081e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10466e+02   -2.12893e+02   -4.55335e+01    3.40221e-06

           Step           Time
      224320000   448640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34366e+03    1.83315e+04    1.23411e+04    1.05212e+03   -2.88530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53351e+03    1.04261e+05    2.80311e+05   -1.72248e+04   -2.15690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19846e+04   -1.73685e+06    3.46253e+05   -1.39060e+06   -5.99144e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10749e+02   -2.12867e+02   -2.17440e+01    3.45518e-06

           Step           Time
      224325000   448650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47778e+03    1.82324e+04    1.24703e+04    1.09256e+03   -2.97228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56085e+03    1.04183e+05    2.82729e+05   -1.72205e+04   -2.15589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20912e+04   -1.73324e+06    3.47739e+05   -1.38550e+06   -5.99128e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12082e+02   -2.12761e+02    1.68242e+02    3.49583e-06

           Step           Time
      224330000   448660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51575e+03    1.86417e+04    1.25676e+04    1.09359e+03   -2.94806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46163e+03    1.03269e+05    2.80206e+05   -1.72024e+04   -2.15195e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19856e+04   -1.73236e+06    3.47779e+05   -1.38458e+06   -5.98522e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12118e+02   -2.12314e+02    6.60968e+01    3.56644e-06

           Step           Time
      224335000   448670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39322e+03    1.83456e+04    1.24202e+04    1.08380e+03   -2.96948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51884e+03    1.03866e+05    2.80881e+05   -1.71892e+04   -2.15659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18553e+04   -1.73638e+06    3.46485e+05   -1.38990e+06   -5.98489e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10957e+02   -2.11989e+02    1.11143e+01    3.62603e-06

           Step           Time
      224340000   448680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50240e+03    1.83033e+04    1.25799e+04    1.11096e+03   -2.96592e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52274e+03    1.04048e+05    2.78879e+05   -1.71674e+04   -2.15286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21342e+04   -1.73392e+06    3.45779e+05   -1.38814e+06   -5.98311e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10324e+02   -2.11452e+02   -1.12068e+02    3.57974e-06

           Step           Time
      224345000   448690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46158e+03    1.79526e+04    1.24435e+04    1.10627e+03   -2.94247e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47075e+03    1.04148e+05    2.79150e+05   -1.71948e+04   -2.15221e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19325e+04   -1.73368e+06    3.46228e+05   -1.38746e+06   -5.98199e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10726e+02   -2.12126e+02   -3.98701e+01    3.52547e-06

           Step           Time
      224350000   448700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53209e+03    1.83480e+04    1.21389e+04    1.02916e+03   -2.96420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51044e+03    1.03903e+05    2.82345e+05   -1.71987e+04   -2.15714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20151e+04   -1.73548e+06    3.46334e+05   -1.38915e+06   -5.97528e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10822e+02   -2.12224e+02    7.06175e+01    3.48327e-06

           Step           Time
      224355000   448710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47484e+03    1.84921e+04    1.24579e+04    1.02856e+03   -2.86612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33074e+03    1.04072e+05    2.83133e+05   -1.72324e+04   -2.15854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21401e+04   -1.73551e+06    3.46666e+05   -1.38885e+06   -5.97044e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11119e+02   -2.13055e+02    1.19954e+02    3.53368e-06

           Step           Time
      224360000   448720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29405e+03    1.82987e+04    1.23676e+04    1.17271e+03   -2.96313e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48031e+03    1.04119e+05    2.80469e+05   -1.72122e+04   -2.15713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20308e+04   -1.73707e+06    3.45924e+05   -1.39115e+06   -5.97104e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10453e+02   -2.12555e+02    3.95270e-01    3.57035e-06

           Step           Time
      224365000   448730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42451e+03    1.83419e+04    1.24810e+04    1.06525e+03   -2.87850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59199e+03    1.03767e+05    2.81396e+05   -1.72131e+04   -2.15456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19845e+04   -1.73360e+06    3.47839e+05   -1.38576e+06   -5.97186e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12172e+02   -2.12579e+02    8.42943e+01    3.37577e-06

           Step           Time
      224370000   448740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38149e+03    1.79983e+04    1.22883e+04    1.07647e+03   -2.90604e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52054e+03    1.04264e+05    2.79730e+05   -1.72273e+04   -2.15433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20875e+04   -1.73511e+06    3.47533e+05   -1.38758e+06   -5.96945e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11897e+02   -2.12928e+02    3.93710e+01    3.42613e-06

           Step           Time
      224375000   448750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56031e+03    1.81007e+04    1.22970e+04    1.11096e+03   -2.79226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38302e+03    1.04102e+05    2.81067e+05   -1.72118e+04   -2.15632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20208e+04   -1.73568e+06    3.46983e+05   -1.38870e+06   -5.96562e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11404e+02   -2.12546e+02   -3.65134e+01    3.49619e-06

           Step           Time
      224380000   448760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35569e+03    1.82350e+04    1.24267e+04    1.03606e+03   -2.93610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61580e+03    1.04011e+05    2.80254e+05   -1.71685e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21197e+04   -1.73561e+06    3.46773e+05   -1.38884e+06   -5.96075e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11215e+02   -2.11480e+02    6.32399e+00    3.49951e-06

           Step           Time
      224385000   448770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73449e+03    1.79753e+04    1.23848e+04    9.80867e+02   -3.03982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41974e+03    1.03967e+05    2.80694e+05   -1.71701e+04   -2.15404e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19294e+04   -1.73417e+06    3.46435e+05   -1.38773e+06   -5.96254e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10912e+02   -2.11519e+02   -2.16854e+01    3.53806e-06

           Step           Time
      224390000   448780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78647e+03    1.85873e+04    1.25119e+04    1.03604e+03   -2.88752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50818e+03    1.03672e+05    2.78445e+05   -1.71920e+04   -2.15155e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21213e+04   -1.73296e+06    3.47191e+05   -1.38577e+06   -5.95806e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11590e+02   -2.12058e+02   -8.11269e+01    3.53263e-06

           Step           Time
      224395000   448790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52885e+03    1.85075e+04    1.23416e+04    1.12394e+03   -2.88006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50048e+03    1.03945e+05    2.80212e+05   -1.71731e+04   -2.15471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18599e+04   -1.73475e+06    3.46157e+05   -1.38859e+06   -5.95254e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10662e+02   -2.11592e+02   -5.82915e+01    3.53119e-06

           Step           Time
      224400000   448800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56220e+03    1.80985e+04    1.22418e+04    1.07723e+03   -2.82030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54833e+03    1.03765e+05    2.81831e+05   -1.71584e+04   -2.15505e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19113e+04   -1.73400e+06    3.45134e+05   -1.38886e+06   -5.95566e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09744e+02   -2.11231e+02    2.21635e+01    3.52191e-06

           Step           Time
      224405000   448810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29497e+03    1.81018e+04    1.24291e+04    1.07011e+03   -2.92681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56043e+03    1.04009e+05    2.78339e+05   -1.72233e+04   -2.15372e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19174e+04   -1.73615e+06    3.44461e+05   -1.39169e+06   -5.95326e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09141e+02   -2.12829e+02   -4.85617e+01    3.46412e-06

           Step           Time
      224410000   448820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68204e+03    1.81020e+04    1.23949e+04    1.11067e+03   -2.92057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44588e+03    1.04262e+05    2.79113e+05   -1.71963e+04   -2.15356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18630e+04   -1.73471e+06    3.46574e+05   -1.38813e+06   -5.94808e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11037e+02   -2.12163e+02   -8.82274e+01    3.46526e-06

           Step           Time
      224415000   448830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41124e+03    1.80611e+04    1.22910e+04    1.11463e+03   -2.82282e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63919e+03    1.04085e+05    2.80438e+05   -1.71824e+04   -2.15338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20652e+04   -1.73328e+06    3.47543e+05   -1.38574e+06   -5.94934e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11906e+02   -2.11821e+02    4.11332e+01    3.63883e-06

           Step           Time
      224420000   448840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06758e+03    1.85190e+04    1.24134e+04    1.05095e+03   -2.99530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.31235e+03    1.03755e+05    2.81179e+05   -1.71958e+04   -2.15554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20059e+04   -1.73442e+06    3.45708e+05   -1.38871e+06   -5.94076e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10260e+02   -2.12152e+02   -2.55120e+01    3.44102e-06

           Step           Time
      224425000   448850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35932e+03    1.80290e+04    1.22876e+04    1.11543e+03   -2.86141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48553e+03    1.04318e+05    2.81571e+05   -1.71903e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19323e+04   -1.73619e+06    3.45076e+05   -1.39112e+06   -5.94111e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09692e+02   -2.12017e+02   -2.83116e+01    3.60010e-06

           Step           Time
      224430000   448860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59424e+03    1.80131e+04    1.24677e+04    1.06898e+03   -3.01456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53295e+03    1.04002e+05    2.77326e+05   -1.71777e+04   -2.15048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18848e+04   -1.73378e+06    3.48384e+05   -1.38540e+06   -5.94200e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12661e+02   -2.11706e+02   -1.01212e+02    3.47735e-06

           Step           Time
      224435000   448870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61410e+03    1.81817e+04    1.23332e+04    1.10029e+03   -2.97301e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50857e+03    1.04466e+05    2.80475e+05   -1.71900e+04   -2.15429e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18059e+04   -1.73396e+06    3.47311e+05   -1.38665e+06   -5.93914e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11698e+02   -2.12010e+02   -1.48679e+00    3.53124e-06

           Step           Time
      224440000   448880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43863e+03    1.79930e+04    1.23083e+04    9.77335e+02   -2.81140e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53897e+03    1.04615e+05    2.80337e+05   -1.71957e+04   -2.15660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18663e+04   -1.73653e+06    3.45964e+05   -1.39057e+06   -5.93374e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10489e+02   -2.12149e+02   -7.31145e+01    3.52771e-06

           Step           Time
      224445000   448890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70257e+03    1.79973e+04    1.24012e+04    1.10464e+03   -2.91145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49632e+03    1.04145e+05    2.82773e+05   -1.72038e+04   -2.15813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19946e+04   -1.73563e+06    3.44910e+05   -1.39072e+06   -5.92636e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09543e+02   -2.12350e+02    3.44146e+01    3.54039e-06

           Step           Time
      224450000   448900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77802e+03    1.81134e+04    1.23760e+04    1.14951e+03   -2.96252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43696e+03    1.04377e+05    2.81374e+05   -1.72169e+04   -2.15623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19176e+04   -1.73488e+06    3.46341e+05   -1.38854e+06   -5.92245e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10828e+02   -2.12671e+02    3.37551e+01    3.85243e-06

           Step           Time
      224455000   448910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62325e+03    1.83309e+04    1.24325e+04    1.04011e+03   -2.95049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59404e+03    1.04476e+05    2.80122e+05   -1.71926e+04   -2.15701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19131e+04   -1.73662e+06    3.46672e+05   -1.38995e+06   -5.92268e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11125e+02   -2.12073e+02    9.95091e+00    3.55260e-06

           Step           Time
      224460000   448920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56403e+03    1.81210e+04    1.24674e+04    1.03371e+03   -2.91041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41297e+03    1.04168e+05    2.79822e+05   -1.71419e+04   -2.15471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20183e+04   -1.73516e+06    3.46923e+05   -1.38824e+06   -5.92350e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11350e+02   -2.10826e+02   -8.84713e+01    3.51324e-06

           Step           Time
      224465000   448930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61721e+03    1.81103e+04    1.24583e+04    1.01362e+03   -3.00096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54417e+03    1.04188e+05    2.79391e+05   -1.72279e+04   -2.15516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18803e+04   -1.73618e+06    3.45956e+05   -1.39022e+06   -5.91724e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10482e+02   -2.12943e+02   -6.11495e+01    3.44431e-06

           Step           Time
      224470000   448940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44145e+03    1.79986e+04    1.24933e+04    1.07142e+03   -2.94450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48475e+03    1.04625e+05    2.80880e+05   -1.71683e+04   -2.15563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21633e+04   -1.73458e+06    3.47570e+05   -1.38701e+06   -5.91806e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11931e+02   -2.11476e+02    1.08387e+01    3.48471e-06

           Step           Time
      224475000   448950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70007e+03    1.78096e+04    1.23510e+04    1.15012e+03   -2.88361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40275e+03    1.04586e+05    2.80592e+05   -1.71687e+04   -2.15411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18893e+04   -1.73368e+06    3.47061e+05   -1.38662e+06   -5.91324e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11474e+02   -2.11485e+02   -4.07792e+01    3.61621e-06

           Step           Time
      224480000   448960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26187e+03    1.83947e+04    1.24461e+04    1.15951e+03   -2.93447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54893e+03    1.04168e+05    2.82576e+05   -1.71857e+04   -2.15760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20447e+04   -1.73512e+06    3.45751e+05   -1.38937e+06   -5.91161e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10298e+02   -2.11902e+02    9.96736e+01    3.38486e-06

           Step           Time
      224485000   448970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65637e+03    1.84853e+04    1.22375e+04    1.08787e+03   -2.93297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45318e+03    1.04363e+05    2.81644e+05   -1.72256e+04   -2.15545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19912e+04   -1.73369e+06    3.47074e+05   -1.38662e+06   -5.90371e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11485e+02   -2.12886e+02    8.58877e+01    3.46678e-06

           Step           Time
      224490000   448980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58250e+03    1.81023e+04    1.24595e+04    1.05624e+03   -2.84153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51878e+03    1.04172e+05    2.84543e+05   -1.72078e+04   -2.16159e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20488e+04   -1.73716e+06    3.46310e+05   -1.39085e+06   -5.90060e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10799e+02   -2.12447e+02    9.23597e+01    3.48466e-06

           Step           Time
      224495000   448990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43428e+03    1.80222e+04    1.24723e+04    1.05105e+03   -2.97381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43778e+03    1.04469e+05    2.81803e+05   -1.71603e+04   -2.15804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21702e+04   -1.73632e+06    3.45404e+05   -1.39091e+06   -5.90094e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09987e+02   -2.11279e+02   -6.09607e+01    3.45306e-06

           Step           Time
      224500000   449000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64099e+03    1.88701e+04    1.21874e+04    1.10233e+03   -2.92661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47125e+03    1.03945e+05    2.80661e+05   -1.71819e+04   -2.15352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21236e+04   -1.73263e+06    3.48107e+05   -1.38452e+06   -5.89288e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12413e+02   -2.11808e+02    3.14390e+01    3.55751e-06

           Step           Time
      224505000   449010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43602e+03    1.83629e+04    1.24043e+04    1.10818e+03   -2.93686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48841e+03    1.04210e+05    2.81431e+05   -1.72096e+04   -2.15658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19186e+04   -1.73537e+06    3.45573e+05   -1.38980e+06   -5.89391e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10139e+02   -2.12492e+02   -8.66977e+00    3.43887e-06

           Step           Time
      224510000   449020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50415e+03    1.78723e+04    1.25295e+04    1.03260e+03   -2.87026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43328e+03    1.04026e+05    2.79622e+05   -1.71513e+04   -2.15394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18369e+04   -1.73510e+06    3.46358e+05   -1.38875e+06   -5.89834e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10843e+02   -2.11056e+02   -5.60039e+01    3.44591e-06

           Step           Time
      224515000   449030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36784e+03    1.80597e+04    1.23597e+04    1.13837e+03   -2.93470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57076e+03    1.03986e+05    2.82261e+05   -1.71939e+04   -2.15572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21383e+04   -1.73397e+06    3.48020e+05   -1.38595e+06   -5.89655e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12335e+02   -2.12105e+02    1.06938e+02    3.53679e-06

           Step           Time
      224520000   449040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50012e+03    1.86756e+04    1.23712e+04    1.01062e+03   -2.85676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53060e+03    1.03953e+05    2.82945e+05   -1.72175e+04   -2.15808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19264e+04   -1.73524e+06    3.45875e+05   -1.38937e+06   -5.88802e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10409e+02   -2.12686e+02    1.08780e+02    3.30206e-06

           Step           Time
      224525000   449050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29613e+03    1.82368e+04    1.25554e+04    1.10954e+03   -2.94797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58523e+03    1.04641e+05    2.80359e+05   -1.71867e+04   -2.15435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20634e+04   -1.73364e+06    3.43945e+05   -1.38969e+06   -5.88500e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08678e+02   -2.11927e+02    8.28363e+00    3.54090e-06

           Step           Time
      224530000   449060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50670e+03    1.81037e+04    1.22495e+04    1.10028e+03   -2.98340e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50655e+03    1.04626e+05    2.78623e+05   -1.71777e+04   -2.15522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21052e+04   -1.73656e+06    3.44384e+05   -1.39218e+06   -5.88308e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09071e+02   -2.11706e+02   -1.62779e+02    3.40419e-06

           Step           Time
      224535000   449070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59582e+03    1.84315e+04    1.24373e+04    9.91570e+02   -3.02589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48915e+03    1.03888e+05    2.82859e+05   -1.71957e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19374e+04   -1.73483e+06    3.47701e+05   -1.38713e+06   -5.88159e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12048e+02   -2.12149e+02    8.79970e+01    3.60415e-06

           Step           Time
      224540000   449080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83757e+03    1.83717e+04    1.26795e+04    1.16500e+03   -2.92788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38668e+03    1.03855e+05    2.81683e+05   -1.71857e+04   -2.15703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20189e+04   -1.73515e+06    3.47147e+05   -1.38800e+06   -5.87759e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11551e+02   -2.11904e+02   -1.67886e+01    3.47817e-06

           Step           Time
      224545000   449090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23974e+03    1.85716e+04    1.22914e+04    1.06798e+03   -2.87183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44403e+03    1.04258e+05    2.77987e+05   -1.71787e+04   -2.15240e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18035e+04   -1.73478e+06    3.45338e+05   -1.38945e+06   -5.87701e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09927e+02   -2.11730e+02   -8.28765e+01    3.41329e-06

           Step           Time
      224550000   449100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44417e+03    1.82684e+04    1.23560e+04    1.04572e+03   -2.94561e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46621e+03    1.04064e+05    2.80543e+05   -1.71603e+04   -2.15397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20761e+04   -1.73382e+06    3.44223e+05   -1.38959e+06   -5.87262e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08927e+02   -2.11279e+02   -4.50239e+01    3.56330e-06

           Step           Time
      224555000   449110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50328e+03    1.81400e+04    1.24669e+04    1.17580e+03   -2.89345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44751e+03    1.04416e+05    2.78995e+05   -1.71801e+04   -2.15038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20681e+04   -1.73124e+06    3.47368e+05   -1.38387e+06   -5.87209e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11750e+02   -2.11766e+02   -4.05528e+01    3.47387e-06

           Step           Time
      224560000   449120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69450e+03    1.83009e+04    1.23844e+04    1.08886e+03   -2.85006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49863e+03    1.03954e+05    2.82538e+05   -1.71997e+04   -2.15777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19003e+04   -1.73546e+06    3.45998e+05   -1.38946e+06   -5.86758e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10520e+02   -2.12248e+02    3.82764e+01    3.43584e-06

           Step           Time
      224565000   449130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64360e+03    1.83680e+04    1.23917e+04    1.05835e+03   -2.94462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45791e+03    1.04274e+05    2.80531e+05   -1.72019e+04   -2.15702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19749e+04   -1.73647e+06    3.46772e+05   -1.38970e+06   -5.86701e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11214e+02   -2.12303e+02   -2.30004e+01    3.48906e-06

           Step           Time
      224570000   449140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53984e+03    1.80681e+04    1.23513e+04    1.07492e+03   -2.82043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43250e+03    1.04198e+05    2.80497e+05   -1.71944e+04   -2.15566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21410e+04   -1.73537e+06    3.45942e+05   -1.38943e+06   -5.86484e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10470e+02   -2.12118e+02   -1.40859e-01    3.42624e-06

           Step           Time
      224575000   449150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57564e+03    1.79199e+04    1.26178e+04    1.08350e+03   -2.86331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36708e+03    1.04320e+05    2.82439e+05   -1.71867e+04   -2.15672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20294e+04   -1.73442e+06    3.46237e+05   -1.38818e+06   -5.86036e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10735e+02   -2.11927e+02    8.18253e+01    3.38849e-06

           Step           Time
      224580000   449160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75896e+03    1.84882e+04    1.25107e+04    1.04674e+03   -2.86784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42423e+03    1.03767e+05    2.78029e+05   -1.72186e+04   -2.15139e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20397e+04   -1.73341e+06    3.48339e+05   -1.38507e+06   -5.85982e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12620e+02   -2.12713e+02   -6.95175e+01    3.52013e-06

           Step           Time
      224585000   449170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55237e+03    1.84108e+04    1.23629e+04    9.91972e+02   -2.84954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38276e+03    1.03691e+05    2.81298e+05   -1.72085e+04   -2.15491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18099e+04   -1.73447e+06    3.47226e+05   -1.38725e+06   -5.85656e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11622e+02   -2.12466e+02    7.43876e+01    3.47148e-06

           Step           Time
      224590000   449180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50912e+03    1.80168e+04    1.24080e+04    1.02049e+03   -2.96275e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43127e+03    1.04014e+05    2.81765e+05   -1.71922e+04   -2.15629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19684e+04   -1.73531e+06    3.46214e+05   -1.38910e+06   -5.85720e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10714e+02   -2.12064e+02    3.13943e+01    3.47588e-06

           Step           Time
      224595000   449190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76143e+03    1.81722e+04    1.25375e+04    1.11317e+03   -2.93565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37631e+03    1.03544e+05    2.78053e+05   -1.72267e+04   -2.15194e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19548e+04   -1.73459e+06    3.47347e+05   -1.38724e+06   -5.85139e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11731e+02   -2.12914e+02   -1.69647e+02    3.50850e-06

           Step           Time
      224600000   449200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40446e+03    1.83596e+04    1.22897e+04    1.06925e+03   -2.83259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56260e+03    1.04298e+05    2.81317e+05   -1.71568e+04   -2.15405e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20113e+04   -1.73273e+06    3.46125e+05   -1.38660e+06   -5.84515e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10633e+02   -2.11193e+02    6.87178e+01    3.49971e-06

           Step           Time
      224605000   449210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44082e+03    1.80868e+04    1.23191e+04    1.08444e+03   -2.78016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52959e+03    1.03500e+05    2.82799e+05   -1.72168e+04   -2.15881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18568e+04   -1.73719e+06    3.47360e+05   -1.38983e+06   -5.84224e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11742e+02   -2.12671e+02    9.68370e+01    3.37580e-06

           Step           Time
      224610000   449220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46411e+03    1.81307e+04    1.25055e+04    1.06975e+03   -2.91499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45263e+03    1.04232e+05    2.80042e+05   -1.71615e+04   -2.15166e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18160e+04   -1.73202e+06    3.47458e+05   -1.38456e+06   -5.84288e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11830e+02   -2.11308e+02   -2.91944e+01    3.44892e-06

           Step           Time
      224615000   449230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27942e+03    1.84543e+04    1.23766e+04    1.05623e+03   -2.93521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54036e+03    1.04037e+05    2.81518e+05   -1.71850e+04   -2.15641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20231e+04   -1.73525e+06    3.47017e+05   -1.38823e+06   -5.83735e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11435e+02   -2.11885e+02    9.13091e+01    3.41427e-06

           Step           Time
      224620000   449240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43904e+03    1.80049e+04    1.20955e+04    1.02612e+03   -2.78351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51969e+03    1.04127e+05    2.79121e+05   -1.71692e+04   -2.15184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18748e+04   -1.73359e+06    3.47927e+05   -1.38566e+06   -5.84078e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12251e+02   -2.11496e+02   -3.43128e+01    3.53641e-06

           Step           Time
      224625000   449250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42150e+03    1.85074e+04    1.24431e+04    1.08507e+03   -2.88117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41948e+03    1.03322e+05    2.81028e+05   -1.71867e+04   -2.15707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21651e+04   -1.73674e+06    3.45151e+05   -1.39159e+06   -5.83091e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09760e+02   -2.11929e+02   -4.66521e+01    3.32318e-06

           Step           Time
      224630000   449260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78182e+03    1.82442e+04    1.23330e+04    1.16451e+03   -2.79435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47987e+03    1.03540e+05    2.82102e+05   -1.72148e+04   -2.15659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20217e+04   -1.73493e+06    3.48030e+05   -1.38690e+06   -5.82784e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12344e+02   -2.12621e+02    6.15910e+01    3.60887e-06

           Step           Time
      224635000   449270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33560e+03    1.82914e+04    1.21992e+04    1.07107e+03   -2.80753e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49776e+03    1.03736e+05    2.82196e+05   -1.71892e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19995e+04   -1.73573e+06    3.47207e+05   -1.38852e+06   -5.82891e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11605e+02   -2.11989e+02    9.82988e+01    3.34854e-06

           Step           Time
      224640000   449280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62577e+03    1.84184e+04    1.25161e+04    1.09061e+03   -2.80459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35412e+03    1.03919e+05    2.81792e+05   -1.71988e+04   -2.15712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19676e+04   -1.73544e+06    3.45685e+05   -1.38975e+06   -5.82311e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10239e+02   -2.12226e+02   -2.10588e+01    3.34948e-06

           Step           Time
      224645000   449290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66519e+03    1.81202e+04    1.24107e+04    1.07159e+03   -2.78356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36222e+03    1.03590e+05    2.79748e+05   -1.71771e+04   -2.15374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21514e+04   -1.73458e+06    3.47475e+05   -1.38711e+06   -5.82550e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11845e+02   -2.11690e+02   -7.05881e+01    3.38428e-06

           Step           Time
      224650000   449300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62383e+03    1.81219e+04    1.23989e+04    1.16394e+03   -2.76126e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43573e+03    1.03500e+05    2.80959e+05   -1.71973e+04   -2.15710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18244e+04   -1.73703e+06    3.46486e+05   -1.39054e+06   -5.81921e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10958e+02   -2.12188e+02   -7.78926e+01    3.57117e-06

           Step           Time
      224655000   449310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63196e+03    1.80582e+04    1.25395e+04    1.10641e+03   -2.92684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41786e+03    1.03755e+05    2.81000e+05   -1.72149e+04   -2.15539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19893e+04   -1.73503e+06    3.45442e+05   -1.38959e+06   -5.81472e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10021e+02   -2.12623e+02   -1.75542e+01    3.32882e-06

           Step           Time
      224660000   449320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81943e+03    1.79554e+04    1.22576e+04    1.09117e+03   -2.79763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49770e+03    1.03953e+05    2.78193e+05   -1.71375e+04   -2.15186e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19136e+04   -1.73411e+06    3.48037e+05   -1.38608e+06   -5.81669e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12350e+02   -2.10718e+02   -1.68270e+02    3.54026e-06

           Step           Time
      224665000   449330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62762e+03    1.86025e+04    1.23993e+04    1.06761e+03   -2.89362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54140e+03    1.03982e+05    2.81424e+05   -1.72419e+04   -2.15545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19489e+04   -1.73399e+06    3.45687e+05   -1.38831e+06   -5.80584e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10241e+02   -2.13291e+02    7.77983e+01    3.48114e-06

           Step           Time
      224670000   449340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58342e+03    1.85977e+04    1.25103e+04    1.04015e+03   -2.86142e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41865e+03    1.04163e+05    2.81418e+05   -1.71769e+04   -2.15374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20841e+04   -1.73196e+06    3.45702e+05   -1.38626e+06   -5.80359e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10254e+02   -2.11686e+02    1.55769e+01    3.44150e-06

           Step           Time
      224675000   449350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51371e+03    1.82185e+04    1.23091e+04    1.14085e+03   -2.88401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52509e+03    1.03749e+05    2.79698e+05   -1.71821e+04   -2.15502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18570e+04   -1.73607e+06    3.44416e+05   -1.39166e+06   -5.80074e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09100e+02   -2.11814e+02   -1.07617e+02    3.48667e-06

           Step           Time
      224680000   449360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73155e+03    1.80648e+04    1.23669e+04    1.07341e+03   -2.91156e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52476e+03    1.03455e+05    2.79220e+05   -1.71597e+04   -2.15285e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20328e+04   -1.73445e+06    3.46824e+05   -1.38763e+06   -5.80228e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11261e+02   -2.11263e+02   -8.90189e+01    3.47298e-06

           Step           Time
      224685000   449370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50286e+03    1.83490e+04    1.24393e+04    1.08058e+03   -2.88056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45673e+03    1.03688e+05    2.82000e+05   -1.71753e+04   -2.15661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18635e+04   -1.73528e+06    3.46011e+05   -1.38927e+06   -5.79882e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10532e+02   -2.11647e+02    9.27252e+00    3.57486e-06

           Step           Time
      224690000   449380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66596e+03    1.81596e+04    1.25036e+04    1.17612e+03   -2.87188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37684e+03    1.03477e+05    2.81258e+05   -1.71792e+04   -2.15463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18688e+04   -1.73420e+06    3.46993e+05   -1.38721e+06   -5.79585e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11413e+02   -2.11742e+02    2.98882e+00    3.31364e-06

           Step           Time
      224695000   449390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70169e+03    1.82058e+04    1.24336e+04    1.10588e+03   -2.97203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44819e+03    1.03762e+05    2.80558e+05   -1.72099e+04   -2.15618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19417e+04   -1.73621e+06    3.45300e+05   -1.39091e+06   -5.79072e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09894e+02   -2.12499e+02   -1.90845e+01    3.58896e-06

           Step           Time
      224700000   449400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53875e+03    1.85920e+04    1.23245e+04    1.02734e+03   -2.80479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39073e+03    1.03797e+05    2.80830e+05   -1.72132e+04   -2.15542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18593e+04   -1.73508e+06    3.47583e+05   -1.38750e+06   -5.78935e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11943e+02   -2.12580e+02    6.29728e+01    3.55615e-06

           Step           Time
      224705000   449410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53179e+03    1.86430e+04    1.23470e+04    1.08879e+03   -2.92682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39251e+03    1.03691e+05    2.80828e+05   -1.72256e+04   -2.15527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20313e+04   -1.73487e+06    3.45632e+05   -1.38923e+06   -5.78410e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10191e+02   -2.12888e+02   -1.70457e+01    3.50361e-06

           Step           Time
      224710000   449420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67975e+03    1.83144e+04    1.24199e+04    1.11701e+03   -2.87201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37905e+03    1.03805e+05    2.77974e+05   -1.71743e+04   -2.15018e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21308e+04   -1.73241e+06    3.46878e+05   -1.38553e+06   -5.78349e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11309e+02   -2.11623e+02   -1.06212e+02    3.49092e-06

           Step           Time
      224715000   449430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36431e+03    1.82182e+04    1.23669e+04    1.04595e+03   -2.85988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45296e+03    1.03890e+05    2.83114e+05   -1.72087e+04   -2.15913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18883e+04   -1.73686e+06    3.46814e+05   -1.39005e+06   -5.77950e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11252e+02   -2.12470e+02    8.17264e+01    3.35043e-06

           Step           Time
      224720000   449440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35650e+03    1.80036e+04    1.22922e+04    1.12955e+03   -2.83109e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53465e+03    1.04046e+05    2.81176e+05   -1.71758e+04   -2.15609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19998e+04   -1.73555e+06    3.45641e+05   -1.38991e+06   -5.77906e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10200e+02   -2.11660e+02    3.13775e+01    3.42042e-06

           Step           Time
      224725000   449450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39449e+03    1.83328e+04    1.22578e+04    1.00542e+03   -2.95008e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44180e+03    1.04030e+05    2.79751e+05   -1.71791e+04   -2.15518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20891e+04   -1.73601e+06    3.46716e+05   -1.38929e+06   -5.77619e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11164e+02   -2.11740e+02   -3.78527e+00    3.54655e-06

           Step           Time
      224730000   449460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70192e+03    1.83006e+04    1.24042e+04    9.77204e+02   -2.89613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43273e+03    1.04119e+05    2.80173e+05   -1.71932e+04   -2.15607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20189e+04   -1.73603e+06    3.47508e+05   -1.38852e+06   -5.77489e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11875e+02   -2.12087e+02   -6.03078e+01    3.42894e-06

           Step           Time
      224735000   449470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46382e+03    1.82135e+04    1.23895e+04    1.02442e+03   -2.87134e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65343e+03    1.03871e+05    2.81267e+05   -1.71738e+04   -2.15418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21222e+04   -1.73322e+06    3.47334e+05   -1.38589e+06   -5.77038e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11719e+02   -2.11609e+02    9.58106e+01    3.39014e-06

           Step           Time
      224740000   449480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53117e+03    1.86271e+04    1.23875e+04    1.05850e+03   -2.82504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34469e+03    1.03539e+05    2.82176e+05   -1.71539e+04   -2.15665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20923e+04   -1.73488e+06    3.47652e+05   -1.38722e+06   -5.76551e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12004e+02   -2.11121e+02   -6.10797e+01    3.39318e-06

           Step           Time
      224745000   449490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48338e+03    1.85640e+04    1.22576e+04    1.01214e+03   -2.85532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50950e+03    1.03954e+05    2.80787e+05   -1.72062e+04   -2.15686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20692e+04   -1.73629e+06    3.48607e+05   -1.38768e+06   -5.76106e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12861e+02   -2.12409e+02    4.60957e-01    3.55188e-06

           Step           Time
      224750000   449500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31823e+03    1.83128e+04    1.21481e+04    1.01895e+03   -2.84022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51752e+03    1.04555e+05    2.83321e+05   -1.71810e+04   -2.16069e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19217e+04   -1.73760e+06    3.46697e+05   -1.39090e+06   -5.75782e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11147e+02   -2.11786e+02    8.05489e+01    3.56715e-06

           Step           Time
      224755000   449510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32886e+03    1.82020e+04    1.23538e+04    1.12221e+03   -2.78986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65710e+03    1.03988e+05    2.80084e+05   -1.71735e+04   -2.15368e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20068e+04   -1.73390e+06    3.45448e+05   -1.38845e+06   -5.75266e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10026e+02   -2.11603e+02   -5.20665e+01    3.40517e-06

           Step           Time
      224760000   449520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53550e+03    1.81349e+04    1.23372e+04    1.05871e+03   -2.85422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.30850e+03    1.04186e+05    2.78022e+05   -1.71966e+04   -2.15055e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21110e+04   -1.73291e+06    3.46121e+05   -1.38679e+06   -5.75574e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10630e+02   -2.12171e+02   -1.41258e+02    3.40184e-06

           Step           Time
      224765000   449530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65090e+03    1.83909e+04    1.23903e+04    1.03391e+03   -2.93621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47817e+03    1.03149e+05    2.81192e+05   -1.71919e+04   -2.15672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20068e+04   -1.73655e+06    3.45694e+05   -1.39086e+06   -5.75361e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10247e+02   -2.12055e+02   -4.43974e+01    3.54197e-06

           Step           Time
      224770000   449540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44132e+03    1.82034e+04    1.23774e+04    1.11494e+03   -2.91680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54847e+03    1.04074e+05    2.80504e+05   -1.72107e+04   -2.15403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21132e+04   -1.73378e+06    3.46081e+05   -1.38770e+06   -5.75189e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10594e+02   -2.12518e+02    6.51212e+01    3.46614e-06

           Step           Time
      224775000   449550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59369e+03    1.82915e+04    1.23632e+04    1.11121e+03   -2.91800e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57282e+03    1.03851e+05    2.77783e+05   -1.71663e+04   -2.15041e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20909e+04   -1.73284e+06    3.47098e+05   -1.38574e+06   -5.75066e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11507e+02   -2.11427e+02   -3.04464e+01    3.52399e-06

           Step           Time
      224780000   449560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41505e+03    1.79782e+04    1.24003e+04    1.09604e+03   -2.95208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57714e+03    1.04200e+05    2.79734e+05   -1.71914e+04   -2.15537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20658e+04   -1.73605e+06    3.48074e+05   -1.38798e+06   -5.74608e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12383e+02   -2.12045e+02   -4.29658e+01    3.45093e-06

           Step           Time
      224785000   449570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48733e+03    1.84270e+04    1.24734e+04    1.09382e+03   -2.94318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56488e+03    1.04099e+05    2.80502e+05   -1.71966e+04   -2.15283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21336e+04   -1.73219e+06    3.48547e+05   -1.38364e+06   -5.74464e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12807e+02   -2.12172e+02    5.94584e+01    3.59048e-06

           Step           Time
      224790000   449580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46918e+03    1.85711e+04    1.24308e+04    1.12615e+03   -2.83018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51164e+03    1.04438e+05    2.80281e+05   -1.71972e+04   -2.15287e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20780e+04   -1.73199e+06    3.45978e+05   -1.38602e+06   -5.74019e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10502e+02   -2.12186e+02    1.06116e+01    3.53907e-06

           Step           Time
      224795000   449590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46714e+03    1.81886e+04    1.24801e+04    1.06290e+03   -2.87466e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63172e+03    1.04341e+05    2.80748e+05   -1.71803e+04   -2.15604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18849e+04   -1.73529e+06    3.44664e+05   -1.39063e+06   -5.73520e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09322e+02   -2.11770e+02    3.87108e+01    3.39437e-06

           Step           Time
      224800000   449600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44857e+03    1.82372e+04    1.22872e+04    1.07797e+03   -2.93623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63723e+03    1.04246e+05    2.80124e+05   -1.71634e+04   -2.15545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19800e+04   -1.73552e+06    3.46463e+05   -1.38905e+06   -5.72998e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10938e+02   -2.11355e+02   -9.49070e+00    3.43211e-06

           Step           Time
      224805000   449610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55003e+03    1.87041e+04    1.24746e+04    1.08918e+03   -2.93173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40563e+03    1.03900e+05    2.80079e+05   -1.71739e+04   -2.15403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21324e+04   -1.73380e+06    3.47001e+05   -1.38680e+06   -5.72732e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11420e+02   -2.11611e+02   -2.00137e+01    3.40764e-06

           Step           Time
      224810000   449620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46149e+03    1.82207e+04    1.25691e+04    1.15602e+03   -2.90426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54975e+03    1.03905e+05    2.82119e+05   -1.71996e+04   -2.15863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19607e+04   -1.73679e+06    3.48336e+05   -1.38845e+06   -5.73208e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12618e+02   -2.12246e+02    8.65680e+01    3.44417e-06

           Step           Time
      224815000   449630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35885e+03    1.81088e+04    1.25216e+04    1.07155e+03   -2.84035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65374e+03    1.04459e+05    2.80184e+05   -1.71991e+04   -2.15543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18942e+04   -1.73522e+06    3.46857e+05   -1.38836e+06   -5.72654e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11291e+02   -2.12234e+02    1.24196e+01    3.58904e-06

           Step           Time
      224820000   449640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51055e+03    1.85300e+04    1.24306e+04    1.09522e+03   -2.85665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51339e+03    1.03650e+05    2.78683e+05   -1.71722e+04   -2.15280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19471e+04   -1.73447e+06    3.46895e+05   -1.38758e+06   -5.71808e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11325e+02   -2.11570e+02   -7.06169e+01    3.43302e-06

           Step           Time
      224825000   449650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66415e+03    1.79833e+04    1.25266e+04    1.03700e+03   -2.84984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54989e+03    1.03997e+05    2.78161e+05   -1.71933e+04   -2.15371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18668e+04   -1.73596e+06    3.47420e+05   -1.38854e+06   -5.71988e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11796e+02   -2.12091e+02   -8.05387e+01    3.57156e-06

           Step           Time
      224830000   449660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62818e+03    1.83569e+04    1.23798e+04    1.03151e+03   -3.02095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56607e+03    1.03943e+05    2.80344e+05   -1.71658e+04   -2.15566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20795e+04   -1.73552e+06    3.47095e+05   -1.38843e+06   -5.71445e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11505e+02   -2.11412e+02   -2.11229e+00    3.45775e-06

           Step           Time
      224835000   449670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43837e+03    1.84681e+04    1.22975e+04    1.10386e+03   -2.84342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43965e+03    1.03713e+05    2.82835e+05   -1.71978e+04   -2.15893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19675e+04   -1.73671e+06    3.45600e+05   -1.39111e+06   -5.71454e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10162e+02   -2.12202e+02    4.41975e+01    3.41859e-06

           Step           Time
      224840000   449680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55313e+03    1.83553e+04    1.22871e+04    1.03635e+03   -2.89955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44764e+03    1.03496e+05    2.80589e+05   -1.72242e+04   -2.15642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17919e+04   -1.73698e+06    3.45338e+05   -1.39165e+06   -5.70745e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09928e+02   -2.12852e+02   -4.95309e+01    3.46782e-06

           Step           Time
      224845000   449690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54828e+03    1.84112e+04    1.22791e+04    1.08826e+03   -2.88818e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35457e+03    1.04227e+05    2.80190e+05   -1.71717e+04   -2.15405e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19644e+04   -1.73405e+06    3.46872e+05   -1.38718e+06   -5.70794e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11304e+02   -2.11558e+02    7.10385e+00    3.49692e-06

           Step           Time
      224850000   449700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24401e+03    1.86988e+04    1.23471e+04    1.10418e+03   -2.97449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52329e+03    1.04160e+05    2.82656e+05   -1.72090e+04   -2.15786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22194e+04   -1.73509e+06    3.49219e+05   -1.38587e+06   -5.70474e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13410e+02   -2.12477e+02    1.56989e+02    3.59613e-06

           Step           Time
      224855000   449710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47560e+03    1.85979e+04    1.24243e+04    1.09535e+03   -2.98476e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47984e+03    1.03778e+05    2.79164e+05   -1.72120e+04   -2.15079e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19805e+04   -1.73199e+06    3.47812e+05   -1.38417e+06   -5.69714e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12148e+02   -2.12551e+02   -3.44022e+00    3.46372e-06

           Step           Time
      224860000   449720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34914e+03    1.83774e+04    1.25976e+04    1.13744e+03   -2.85942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50154e+03    1.03766e+05    2.79547e+05   -1.71954e+04   -2.15133e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21776e+04   -1.73193e+06    3.45776e+05   -1.38615e+06   -5.69252e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10321e+02   -2.12142e+02    1.94354e+01    3.30689e-06

           Step           Time
      224865000   449730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26583e+03    1.81720e+04    1.24104e+04    1.14190e+03   -2.91437e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46554e+03    1.03703e+05    2.81673e+05   -1.71879e+04   -2.15919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19603e+04   -1.73850e+06    3.45616e+05   -1.39288e+06   -5.69200e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10177e+02   -2.11958e+02   -5.86983e+01    3.38580e-06

           Step           Time
      224870000   449740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80498e+03    1.82285e+04    1.24389e+04    1.12528e+03   -2.95677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45699e+03    1.03630e+05    2.82225e+05   -1.71844e+04   -2.15671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21788e+04   -1.73477e+06    3.46186e+05   -1.38858e+06   -5.68968e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10689e+02   -2.11871e+02    2.42685e+01    3.50500e-06

           Step           Time
      224875000   449750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48676e+03    1.86888e+04    1.23540e+04    1.00610e+03   -2.94887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39812e+03    1.03891e+05    2.80882e+05   -1.72100e+04   -2.15548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18628e+04   -1.73507e+06    3.49041e+05   -1.38603e+06   -5.68925e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13251e+02   -2.12502e+02    1.43288e+01    3.45854e-06

           Step           Time
      224880000   449760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45725e+03    1.82797e+04    1.25081e+04    1.16578e+03   -2.97895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52701e+03    1.03751e+05    2.80972e+05   -1.71938e+04   -2.15881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19121e+04   -1.73841e+06    3.47670e+05   -1.39074e+06   -5.68464e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12020e+02   -2.12104e+02    9.22938e+00    3.43151e-06

           Step           Time
      224885000   449770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53121e+03    1.84450e+04    1.25196e+04    1.05885e+03   -2.86767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36198e+03    1.03703e+05    2.79279e+05   -1.72213e+04   -2.15587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21150e+04   -1.73694e+06    3.46724e+05   -1.39022e+06   -5.68134e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11171e+02   -2.12781e+02   -1.12962e+02    3.51932e-06

           Step           Time
      224890000   449780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43247e+03    1.81077e+04    1.22749e+04    1.13439e+03   -2.82712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53749e+03    1.03738e+05    2.82230e+05   -1.71609e+04   -2.15911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18524e+04   -1.73779e+06    3.45448e+05   -1.39234e+06   -5.67460e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10026e+02   -2.11292e+02   -2.36456e+00    3.41807e-06

           Step           Time
      224895000   449790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45150e+03    1.84828e+04    1.24347e+04    1.09230e+03   -2.86713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47142e+03    1.03858e+05    2.82439e+05   -1.71875e+04   -2.15863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19388e+04   -1.73651e+06    3.47336e+05   -1.38918e+06   -5.67596e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11721e+02   -2.11947e+02   -1.80603e+01    3.39911e-06

           Step           Time
      224900000   449800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55631e+03    1.83302e+04    1.24280e+04    1.11137e+03   -2.83474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42613e+03    1.03507e+05    2.78317e+05   -1.71399e+04   -2.14830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19655e+04   -1.73064e+06    3.46394e+05   -1.38424e+06   -5.67245e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10876e+02   -2.10776e+02   -1.04066e+02    3.49603e-06

           Step           Time
      224905000   449810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70418e+03    1.83194e+04    1.25732e+04    1.00944e+03   -2.98227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46094e+03    1.03576e+05    2.77635e+05   -1.72051e+04   -2.15133e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20271e+04   -1.73422e+06    3.46783e+05   -1.38743e+06   -5.66995e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11224e+02   -2.12381e+02   -9.64030e+01    3.46187e-06

           Step           Time
      224910000   449820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51092e+03    1.82461e+04    1.25354e+04    1.14552e+03   -2.87862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46637e+03    1.03555e+05    2.80965e+05   -1.71814e+04   -2.15762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18952e+04   -1.73736e+06    3.45728e+05   -1.39163e+06   -5.66436e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10278e+02   -2.11796e+02   -9.08922e+01    3.59552e-06

           Step           Time
      224915000   449830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52750e+03    1.84891e+04    1.24297e+04    1.11718e+03   -2.95482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34760e+03    1.03460e+05    2.81218e+05   -1.71838e+04   -2.15457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20144e+04   -1.73411e+06    3.47164e+05   -1.38694e+06   -5.66426e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11566e+02   -2.11856e+02   -1.28673e+01    3.63808e-06

           Step           Time
      224920000   449840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58954e+03    1.88047e+04    1.25051e+04    9.85044e+02   -3.03787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53706e+03    1.03280e+05    2.83580e+05   -1.72338e+04   -2.15905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19944e+04   -1.73605e+06    3.46361e+05   -1.38968e+06   -5.65919e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10846e+02   -2.13090e+02    1.60451e+02    3.35552e-06

           Step           Time
      224925000   449850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81786e+03    1.84756e+04    1.23474e+04    1.12928e+03   -2.74073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47107e+03    1.03098e+05    2.79406e+05   -1.71983e+04   -2.15278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18623e+04   -1.73411e+06    3.46208e+05   -1.38790e+06   -5.65788e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10709e+02   -2.12214e+02   -4.35558e+01    3.55709e-06

           Step           Time
      224930000   449860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68732e+03    1.83162e+04    1.22046e+04    1.10026e+03   -2.99248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41847e+03    1.03464e+05    2.83616e+05   -1.72404e+04   -2.15938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19547e+04   -1.73685e+06    3.46214e+05   -1.39064e+06   -5.65739e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10713e+02   -2.13251e+02    1.12863e+02    3.44018e-06

           Step           Time
      224935000   449870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36942e+03    1.86294e+04    1.25037e+04    1.11373e+03   -2.84148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67698e+03    1.03837e+05    2.79245e+05   -1.71885e+04   -2.15528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19466e+04   -1.73599e+06    3.47550e+05   -1.38844e+06   -5.65151e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11913e+02   -2.11973e+02    1.09386e+01    3.50248e-06

           Step           Time
      224940000   449880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31706e+03    1.81166e+04    1.23467e+04    1.03901e+03   -2.80347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57116e+03    1.03564e+05    2.81649e+05   -1.72014e+04   -2.15496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18003e+04   -1.73456e+06    3.46561e+05   -1.38800e+06   -5.65469e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11025e+02   -2.12289e+02    6.61096e+01    3.41136e-06

           Step           Time
      224945000   449890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50149e+03    1.83561e+04    1.21972e+04    1.09739e+03   -2.89483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45614e+03    1.04167e+05    2.82162e+05   -1.71883e+04   -2.15785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19766e+04   -1.73602e+06    3.48847e+05   -1.38717e+06   -5.65244e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13077e+02   -2.11968e+02    4.22234e+01    3.65432e-06

           Step           Time
      224950000   449900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46419e+03    1.85055e+04    1.22285e+04    1.13172e+03   -2.86868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53903e+03    1.04000e+05    2.81916e+05   -1.71808e+04   -2.15594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20763e+04   -1.73413e+06    3.46149e+05   -1.38798e+06   -5.64550e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10655e+02   -2.11783e+02    7.37380e+00    3.41289e-06

           Step           Time
      224955000   449910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84094e+03    1.85149e+04    1.24890e+04    1.13171e+03   -2.88157e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45326e+03    1.03672e+05    2.80986e+05   -1.72110e+04   -2.15568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21941e+04   -1.73449e+06    3.49513e+05   -1.38497e+06   -5.64336e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13674e+02   -2.12527e+02    2.44793e+01    3.47086e-06

           Step           Time
      224960000   449920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45935e+03    1.81704e+04    1.22632e+04    1.05584e+03   -2.91266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57073e+03    1.03919e+05    2.79928e+05   -1.71731e+04   -2.15424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19123e+04   -1.73504e+06    3.45227e+05   -1.38982e+06   -5.64026e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09828e+02   -2.11592e+02    2.43905e+00    3.50742e-06

           Step           Time
      224965000   449930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45727e+03    1.84720e+04    1.24191e+04    1.10325e+03   -2.94679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42198e+03    1.04139e+05    2.81797e+05   -1.71975e+04   -2.15695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18734e+04   -1.73541e+06    3.46796e+05   -1.38861e+06   -5.63694e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11236e+02   -2.12194e+02    4.70399e+01    3.48043e-06

           Step           Time
      224970000   449940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38697e+03    1.87314e+04    1.22509e+04    1.08929e+03   -2.97059e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51040e+03    1.03580e+05    2.81848e+05   -1.71838e+04   -2.15598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19028e+04   -1.73484e+06    3.46237e+05   -1.38860e+06   -5.63524e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10734e+02   -2.11857e+02    9.73617e+01    3.59776e-06

           Step           Time
      224975000   449950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46783e+03    1.86103e+04    1.23963e+04    1.11338e+03   -2.89388e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38598e+03    1.03798e+05    2.78760e+05   -1.71967e+04   -2.15212e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19510e+04   -1.73373e+06    3.48635e+05   -1.38509e+06   -5.63619e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12886e+02   -2.12174e+02   -7.72650e+01    3.36671e-06

           Step           Time
      224980000   449960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29391e+03    1.79892e+04    1.23141e+04    1.01235e+03   -2.89364e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57381e+03    1.04400e+05    2.82322e+05   -1.71914e+04   -2.15580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19434e+04   -1.73403e+06    3.46014e+05   -1.38802e+06   -5.63072e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10534e+02   -2.12044e+02    8.53468e+01    3.44842e-06

Writing checkpoint, step 224982300 at Fri Dec  1 19:53:07 2023


           Step           Time
      224985000   449970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45934e+03    1.80966e+04    1.23020e+04    1.09194e+03   -2.77912e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48486e+03    1.04215e+05    2.81326e+05   -1.72141e+04   -2.15630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21459e+04   -1.73518e+06    3.46306e+05   -1.38887e+06   -5.62436e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10796e+02   -2.12603e+02    9.90502e+01    3.51649e-06

           Step           Time
      224990000   449980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47923e+03    1.82798e+04    1.23404e+04    1.08124e+03   -2.85270e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36660e+03    1.03851e+05    2.81063e+05   -1.71878e+04   -2.15641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19462e+04   -1.73604e+06    3.45384e+05   -1.39066e+06   -5.62178e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09969e+02   -2.11954e+02   -4.37486e+01    3.60507e-06

           Step           Time
      224995000   449990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61344e+03    1.80449e+04    1.22500e+04    1.03666e+03   -2.75332e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52443e+03    1.03946e+05    2.83874e+05   -1.71866e+04   -2.15836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18209e+04   -1.73519e+06    3.47310e+05   -1.38788e+06   -5.61834e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11697e+02   -2.11926e+02    1.78499e+02    3.40129e-06

           Step           Time
      225000000   450000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61055e+03    1.82833e+04    1.22920e+04    1.05629e+03   -2.92120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45075e+03    1.03701e+05    2.82693e+05   -1.71930e+04   -2.15843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19957e+04   -1.73646e+06    3.46945e+05   -1.38952e+06   -5.61655e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11369e+02   -2.12084e+02    4.25233e+01    3.43940e-06

           Step           Time
      225005000   450010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28177e+03    1.83968e+04    1.25258e+04    1.11840e+03   -2.84984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54324e+03    1.03870e+05    2.79251e+05   -1.71658e+04   -2.15560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19838e+04   -1.73664e+06    3.47306e+05   -1.38933e+06   -5.61691e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11694e+02   -2.11412e+02   -6.78559e+01    3.47630e-06

           Step           Time
      225010000   450020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62269e+03    1.79446e+04    1.23697e+04    1.03880e+03   -2.97171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39616e+03    1.04254e+05    2.79451e+05   -1.72038e+04   -2.15332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21436e+04   -1.73428e+06    3.46701e+05   -1.38758e+06   -5.61240e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11150e+02   -2.12350e+02   -4.62249e+01    3.78607e-06

           Step           Time
      225015000   450030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48647e+03    1.83874e+04    1.23759e+04    9.70785e+02   -2.82858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42206e+03    1.04006e+05    2.77874e+05   -1.71965e+04   -2.15141e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19350e+04   -1.73398e+06    3.45819e+05   -1.38816e+06   -5.60780e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10359e+02   -2.12169e+02   -7.52110e+01    3.47105e-06

           Step           Time
      225020000   450040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63746e+03    1.81845e+04    1.25342e+04    1.08420e+03   -2.95153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50488e+03    1.04255e+05    2.82835e+05   -1.71811e+04   -2.15613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21263e+04   -1.73310e+06    3.48040e+05   -1.38506e+06   -5.60406e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12353e+02   -2.11790e+02    9.58112e+01    3.55630e-06

           Step           Time
      225025000   450050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48450e+03    1.80657e+04    1.23514e+04    1.03200e+03   -2.82733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45053e+03    1.04033e+05    2.80448e+05   -1.71780e+04   -2.15548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20088e+04   -1.73561e+06    3.45654e+05   -1.38996e+06   -5.60240e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10211e+02   -2.11713e+02   -4.43205e+01    3.45205e-06

           Step           Time
      225030000   450060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36724e+03    1.81893e+04    1.23772e+04    1.00208e+03   -2.86012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43866e+03    1.04132e+05    2.80939e+05   -1.71657e+04   -2.15633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17804e+04   -1.73613e+06    3.45958e+05   -1.39018e+06   -5.60119e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10484e+02   -2.11411e+02   -5.65299e+01    3.57335e-06

           Step           Time
      225035000   450070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55193e+03    1.83867e+04    1.23479e+04    1.19346e+03   -2.84975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41308e+03    1.03893e+05    2.80785e+05   -1.71644e+04   -2.15521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19049e+04   -1.73475e+06    3.45390e+05   -1.38936e+06   -5.59309e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09974e+02   -2.11379e+02   -3.50646e+01    3.53790e-06

           Step           Time
      225040000   450080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71859e+03    1.81445e+04    1.24022e+04    1.07500e+03   -2.86660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37512e+03    1.03773e+05    2.82004e+05   -1.72029e+04   -2.15741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20816e+04   -1.73590e+06    3.47220e+05   -1.38868e+06   -5.59295e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11617e+02   -2.12326e+02   -2.58886e+01    3.53331e-06

           Step           Time
      225045000   450090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48490e+03    1.82428e+04    1.24884e+04    1.11401e+03   -2.87193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48580e+03    1.04161e+05    2.82010e+05   -1.72019e+04   -2.15825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20383e+04   -1.73630e+06    3.46164e+05   -1.39014e+06   -5.58910e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10668e+02   -2.12303e+02    7.93774e+00    3.39463e-06

           Step           Time
      225050000   450100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67800e+03    1.78546e+04    1.23374e+04    1.05145e+03   -2.84289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44644e+03    1.04318e+05    2.82728e+05   -1.71907e+04   -2.15814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19939e+04   -1.73576e+06    3.46464e+05   -1.38930e+06   -5.58646e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10938e+02   -2.12027e+02    3.17761e+01    3.48432e-06

           Step           Time
      225055000   450110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44384e+03    1.85158e+04    1.23378e+04    1.12614e+03   -2.82515e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47887e+03    1.03770e+05    2.80814e+05   -1.71586e+04   -2.15602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20016e+04   -1.73552e+06    3.47719e+05   -1.38780e+06   -5.58531e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12064e+02   -2.11236e+02   -8.40865e+01    3.44495e-06

           Step           Time
      225060000   450120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61338e+03    1.77807e+04    1.24255e+04    1.08144e+03   -2.86530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52735e+03    1.04254e+05    2.80755e+05   -1.71689e+04   -2.15683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21657e+04   -1.73626e+06    3.44924e+05   -1.39134e+06   -5.58342e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09556e+02   -2.11489e+02   -5.37147e+01    3.44878e-06

           Step           Time
      225065000   450130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54815e+03    1.78270e+04    1.23609e+04    1.14816e+03   -2.83083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56026e+03    1.04306e+05    2.81889e+05   -1.71752e+04   -2.15811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20735e+04   -1.73640e+06    3.47639e+05   -1.38876e+06   -5.58282e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11993e+02   -2.11645e+02   -1.21743e+00    3.58821e-06

           Step           Time
      225070000   450140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52700e+03    1.83149e+04    1.22660e+04    1.01074e+03   -2.76924e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41683e+03    1.04626e+05    2.83458e+05   -1.71967e+04   -2.15989e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20302e+04   -1.73621e+06    3.47679e+05   -1.38853e+06   -5.57528e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12028e+02   -2.12174e+02    5.08373e+01    3.59700e-06

           Step           Time
      225075000   450150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43504e+03    1.83398e+04    1.22220e+04    1.00829e+03   -2.78959e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47156e+03    1.04179e+05    2.80853e+05   -1.72128e+04   -2.15504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18531e+04   -1.73468e+06    3.45702e+05   -1.38898e+06   -5.57455e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10254e+02   -2.12570e+02    6.68410e+01    3.34570e-06

           Step           Time
      225080000   450160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58421e+03    1.79132e+04    1.23685e+04    1.06537e+03   -2.91453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44864e+03    1.04107e+05    2.81125e+05   -1.72061e+04   -2.15550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19616e+04   -1.73505e+06    3.47352e+05   -1.38770e+06   -5.57144e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11735e+02   -2.12405e+02   -5.85656e+00    3.59956e-06

           Step           Time
      225085000   450170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79962e+03    1.81482e+04    1.24719e+04    1.13679e+03   -2.85833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49359e+03    1.04261e+05    2.79282e+05   -1.72094e+04   -2.15398e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19589e+04   -1.73450e+06    3.47736e+05   -1.38676e+06   -5.57086e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12079e+02   -2.12487e+02   -4.58683e+01    3.54687e-06

           Step           Time
      225090000   450180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39494e+03    1.81244e+04    1.25808e+04    1.06162e+03   -2.87788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49808e+03    1.04549e+05    2.80705e+05   -1.72109e+04   -2.15557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18487e+04   -1.73490e+06    3.48210e+05   -1.38669e+06   -5.56548e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12505e+02   -2.12524e+02    1.30489e+01    3.54589e-06

           Step           Time
      225095000   450190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50314e+03    1.85722e+04    1.22258e+04    1.05823e+03   -2.80749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51739e+03    1.04185e+05    2.79588e+05   -1.71835e+04   -2.15315e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19612e+04   -1.73353e+06    3.48522e+05   -1.38501e+06   -5.55941e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12785e+02   -2.11850e+02   -5.62185e+01    3.60278e-06

           Step           Time
      225100000   450200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35412e+03    1.82649e+04    1.23241e+04    1.01188e+03   -2.92337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46506e+03    1.04150e+05    2.81985e+05   -1.72270e+04   -2.15790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19709e+04   -1.73652e+06    3.46054e+05   -1.39047e+06   -5.55861e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10570e+02   -2.12921e+02    1.07502e+02    3.55240e-06

           Step           Time
      225105000   450210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27871e+03    1.85616e+04    1.22254e+04    1.17907e+03   -2.93175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59090e+03    1.04369e+05    2.77741e+05   -1.71418e+04   -2.15106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19277e+04   -1.73326e+06    3.45901e+05   -1.38736e+06   -5.55455e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10432e+02   -2.10823e+02   -2.97549e+01    3.51322e-06

           Step           Time
      225110000   450220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55170e+03    1.80258e+04    1.24449e+04    1.14454e+03   -2.94038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46921e+03    1.04339e+05    2.78655e+05   -1.71931e+04   -2.15383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19404e+04   -1.73539e+06    3.46203e+05   -1.38919e+06   -5.55021e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10703e+02   -2.12085e+02   -1.07055e+02    3.57549e-06

           Step           Time
      225115000   450230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52594e+03    1.78743e+04    1.24968e+04    1.07775e+03   -2.82544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52433e+03    1.04268e+05    2.78881e+05   -1.71952e+04   -2.15521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18980e+04   -1.73669e+06    3.45968e+05   -1.39072e+06   -5.55294e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10493e+02   -2.12137e+02   -1.27512e+02    3.45721e-06

           Step           Time
      225120000   450240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35440e+03    1.82227e+04    1.22477e+04    1.02321e+03   -2.93252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51242e+03    1.04661e+05    2.79887e+05   -1.71882e+04   -2.15418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19910e+04   -1.73440e+06    3.45703e+05   -1.38870e+06   -5.54731e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10255e+02   -2.11964e+02    3.95518e+01    3.40186e-06

           Step           Time
      225125000   450250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51794e+03    1.79385e+04    1.22327e+04    1.04388e+03   -2.82216e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49842e+03    1.04450e+05    2.84724e+05   -1.71733e+04   -2.16179e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18746e+04   -1.73750e+06    3.48378e+05   -1.38912e+06   -5.54509e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12655e+02   -2.11599e+02    1.08038e+02    3.45264e-06

           Step           Time
      225130000   450260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36255e+03    1.85538e+04    1.23139e+04    1.04401e+03   -2.85117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48165e+03    1.04249e+05    2.83005e+05   -1.72262e+04   -2.16059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20270e+04   -1.73763e+06    3.46528e+05   -1.39110e+06   -5.53546e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10995e+02   -2.12903e+02    8.55328e+01    3.43156e-06

           Step           Time
      225135000   450270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47141e+03    1.83267e+04    1.22798e+04    1.01333e+03   -2.89860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54305e+03    1.03782e+05    2.81246e+05   -1.72000e+04   -2.15479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18463e+04   -1.73438e+06    3.45972e+05   -1.38841e+06   -5.53800e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10497e+02   -2.12256e+02    5.80798e+01    3.55390e-06

           Step           Time
      225140000   450280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35847e+03    1.85249e+04    1.23718e+04    1.08319e+03   -2.77774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46979e+03    1.04138e+05    2.79294e+05   -1.71674e+04   -2.15603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20620e+04   -1.73667e+06    3.46776e+05   -1.38989e+06   -5.53651e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11218e+02   -2.11452e+02   -1.09649e+02    3.48290e-06

           Step           Time
      225145000   450290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38790e+03    1.84973e+04    1.24214e+04    1.08285e+03   -2.96736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45684e+03    1.04310e+05    2.80563e+05   -1.72245e+04   -2.15708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19734e+04   -1.73658e+06    3.46104e+05   -1.39047e+06   -5.52628e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10615e+02   -2.12860e+02    8.95475e+00    3.65871e-06

           Step           Time
      225150000   450300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51802e+03    1.80114e+04    1.22384e+04    1.00865e+03   -2.87237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37675e+03    1.04912e+05    2.78344e+05   -1.71516e+04   -2.15457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18157e+04   -1.73637e+06    3.46649e+05   -1.38972e+06   -5.53146e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11104e+02   -2.11064e+02   -1.28789e+02    3.49130e-06

           Step           Time
      225155000   450310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52623e+03    1.80961e+04    1.21896e+04    1.02173e+03   -2.86513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53231e+03    1.04409e+05    2.79032e+05   -1.71597e+04   -2.15524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20896e+04   -1.73637e+06    3.46333e+05   -1.39004e+06   -5.52081e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10821e+02   -2.11264e+02   -1.13976e+02    3.47287e-06

           Step           Time
      225160000   450320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55667e+03    1.77926e+04    1.23741e+04    1.03546e+03   -2.84341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53238e+03    1.04296e+05    2.81243e+05   -1.71494e+04   -2.15796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20119e+04   -1.73711e+06    3.44861e+05   -1.39225e+06   -5.51819e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09499e+02   -2.11010e+02   -5.37064e+01    3.38291e-06

           Step           Time
      225165000   450330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46325e+03    1.85681e+04    1.23400e+04    1.09257e+03   -2.86168e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48252e+03    1.04059e+05    2.81574e+05   -1.72088e+04   -2.15410e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19333e+04   -1.73265e+06    3.47080e+05   -1.38557e+06   -5.51772e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11491e+02   -2.12472e+02    1.07117e+02    3.51426e-06

           Step           Time
      225170000   450340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30063e+03    1.78336e+04    1.22334e+04    1.10369e+03   -2.67135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56347e+03    1.04255e+05    2.80675e+05   -1.72073e+04   -2.15500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19722e+04   -1.73494e+06    3.45371e+05   -1.38957e+06   -5.51904e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09957e+02   -2.12435e+02    1.74127e+01    3.65422e-06

           Step           Time
      225175000   450350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41101e+03    1.81586e+04    1.22603e+04    1.03363e+03   -2.83489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46326e+03    1.04504e+05    2.81484e+05   -1.71937e+04   -2.15735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19312e+04   -1.73613e+06    3.45769e+05   -1.39036e+06   -5.51296e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10314e+02   -2.12101e+02    2.27584e+00    3.50549e-06

           Step           Time
      225180000   450360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52634e+03    1.79740e+04    1.21992e+04    1.05828e+03   -2.79852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54238e+03    1.04428e+05    2.81662e+05   -1.72210e+04   -2.15746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20129e+04   -1.73608e+06    3.45610e+05   -1.39047e+06   -5.50991e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10172e+02   -2.12775e+02    7.41379e+01    3.56184e-06

           Step           Time
      225185000   450370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73221e+03    1.80123e+04    1.22372e+04    1.00875e+03   -2.79850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46450e+03    1.03992e+05    2.80667e+05   -1.72253e+04   -2.15441e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18955e+04   -1.73442e+06    3.47675e+05   -1.38675e+06   -5.50556e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12025e+02   -2.12880e+02   -2.16344e+01    3.46074e-06

           Step           Time
      225190000   450380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20074e+03    1.78441e+04    1.24704e+04    1.01695e+03   -2.73359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52010e+03    1.04140e+05    2.80414e+05   -1.72010e+04   -2.15611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17594e+04   -1.73668e+06    3.44751e+05   -1.39193e+06   -5.50388e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09401e+02   -2.12279e+02   -5.34685e+01    3.36445e-06

           Step           Time
      225195000   450390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63885e+03    1.81071e+04    1.22729e+04    1.03633e+03   -2.88630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48643e+03    1.03667e+05    2.81956e+05   -1.71771e+04   -2.15885e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18795e+04   -1.73787e+06    3.45524e+05   -1.39234e+06   -5.49824e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10094e+02   -2.11692e+02   -2.65768e+01    3.60379e-06

           Step           Time
      225200000   450400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38907e+03    1.81181e+04    1.22449e+04    9.68166e+02   -2.84598e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57564e+03    1.04188e+05    2.83077e+05   -1.72044e+04   -2.15895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19990e+04   -1.73644e+06    3.46618e+05   -1.38982e+06   -5.49381e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11076e+02   -2.12364e+02    1.54618e+02    3.58052e-06

           Step           Time
      225205000   450410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59727e+03    1.83224e+04    1.23260e+04    9.76979e+02   -2.92482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47815e+03    1.04416e+05    2.78926e+05   -1.71422e+04   -2.15086e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19899e+04   -1.73189e+06    3.46244e+05   -1.38565e+06   -5.49119e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10741e+02   -2.10834e+02   -7.85517e+01    3.49150e-06

           Step           Time
      225210000   450420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50605e+03    1.79974e+04    1.24794e+04    1.19963e+03   -2.80580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38096e+03    1.03963e+05    2.81248e+05   -1.71668e+04   -2.15557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20953e+04   -1.73467e+06    3.45734e+05   -1.38894e+06   -5.49116e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10283e+02   -2.11437e+02   -3.23754e+01    3.46790e-06

           Step           Time
      225215000   450430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52290e+03    1.77432e+04    1.24189e+04    1.12503e+03   -2.90497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56641e+03    1.04456e+05    2.80616e+05   -1.71726e+04   -2.15537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18756e+04   -1.73512e+06    3.47080e+05   -1.38804e+06   -5.48946e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11491e+02   -2.11579e+02   -3.86047e+01    3.51206e-06

           Step           Time
      225220000   450440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46463e+03    1.78123e+04    1.25241e+04    1.16006e+03   -2.87728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42388e+03    1.04244e+05    2.78111e+05   -1.71529e+04   -2.15238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20623e+04   -1.73460e+06    3.46202e+05   -1.38840e+06   -5.48908e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10703e+02   -2.11095e+02   -1.89828e+02    3.58202e-06

           Step           Time
      225225000   450450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55112e+03    1.79437e+04    1.21285e+04    1.11243e+03   -2.82315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51052e+03    1.04012e+05    2.79206e+05   -1.71632e+04   -2.15407e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18986e+04   -1.73570e+06    3.47313e+05   -1.38838e+06   -5.48738e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11700e+02   -2.11349e+02   -1.13174e+02    3.45910e-06

           Step           Time
      225230000   450460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61194e+03    1.84719e+04    1.24522e+04    1.07565e+03   -2.95372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44981e+03    1.04046e+05    2.83639e+05   -1.72116e+04   -2.15810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21814e+04   -1.73434e+06    3.47137e+05   -1.38720e+06   -5.47696e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11542e+02   -2.12541e+02    1.54010e+02    3.59325e-06

           Step           Time
      225235000   450470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51821e+03    1.83420e+04    1.24914e+04    1.12511e+03   -2.91844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47367e+03    1.04192e+05    2.80458e+05   -1.72130e+04   -2.15622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20072e+04   -1.73574e+06    3.47682e+05   -1.38806e+06   -5.47606e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12031e+02   -2.12575e+02   -1.56164e+01    3.42385e-06

           Step           Time
      225240000   450480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69807e+03    1.85635e+04    1.23969e+04    1.11227e+03   -2.88371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45898e+03    1.03872e+05    2.79020e+05   -1.72198e+04   -2.15431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20117e+04   -1.73528e+06    3.45546e+05   -1.38974e+06   -5.47055e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10114e+02   -2.12745e+02   -6.25292e+01    3.41217e-06

           Step           Time
      225245000   450490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37676e+03    1.82656e+04    1.23339e+04    1.08575e+03   -2.93685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45309e+03    1.04278e+05    2.80776e+05   -1.71984e+04   -2.15738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17255e+04   -1.73723e+06    3.45890e+05   -1.39134e+06   -5.47104e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10423e+02   -2.12217e+02   -3.19733e+01    3.56687e-06

           Step           Time
      225250000   450500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73983e+03    1.86711e+04    1.21640e+04    1.03751e+03   -2.83911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47400e+03    1.03794e+05    2.81261e+05   -1.72340e+04   -2.15511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20322e+04   -1.73401e+06    3.46574e+05   -1.38743e+06   -5.46474e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11036e+02   -2.13093e+02    6.21799e+01    3.50054e-06

           Step           Time
      225255000   450510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63515e+03    1.81892e+04    1.24194e+04    1.05388e+03   -2.88001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45327e+03    1.04131e+05    2.81029e+05   -1.72185e+04   -2.15612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20762e+04   -1.73523e+06    3.45956e+05   -1.38928e+06   -5.46379e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10482e+02   -2.12711e+02    2.75277e+01    3.55742e-06

           Step           Time
      225260000   450520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44086e+03    1.81727e+04    1.24519e+04    1.08569e+03   -2.87938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53988e+03    1.04108e+05    2.80979e+05   -1.72114e+04   -2.15477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19222e+04   -1.73416e+06    3.47125e+05   -1.38703e+06   -5.46474e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11532e+02   -2.12537e+02    7.34180e+01    3.53131e-06

           Step           Time
      225265000   450530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56388e+03    1.80143e+04    1.22706e+04    1.07080e+03   -2.90508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56440e+03    1.04396e+05    2.81038e+05   -1.71809e+04   -2.15591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20495e+04   -1.73503e+06    3.45860e+05   -1.38917e+06   -5.45435e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10396e+02   -2.11785e+02    6.40806e+00    3.50947e-06

           Step           Time
      225270000   450540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79154e+03    1.82662e+04    1.22568e+04    1.02368e+03   -2.81320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41004e+03    1.04332e+05    2.82283e+05   -1.72131e+04   -2.15705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19419e+04   -1.73477e+06    3.45386e+05   -1.38938e+06   -5.45375e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09970e+02   -2.12577e+02    4.86614e+01    3.42597e-06

           Step           Time
      225275000   450550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53008e+03    1.82907e+04    1.24615e+04    1.03959e+03   -2.88739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49773e+03    1.04348e+05    2.80628e+05   -1.72149e+04   -2.15306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21257e+04   -1.73224e+06    3.47287e+05   -1.38495e+06   -5.45378e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11677e+02   -2.12624e+02    7.41275e+01    3.51251e-06

           Step           Time
      225280000   450560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66011e+03    1.80359e+04    1.23969e+04    1.05352e+03   -2.89089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64735e+03    1.03762e+05    2.82764e+05   -1.72228e+04   -2.15667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18444e+04   -1.73462e+06    3.45697e+05   -1.38892e+06   -5.44792e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10249e+02   -2.12817e+02    1.08575e+02    3.66409e-06

           Step           Time
      225285000   450570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39361e+03    1.82476e+04    1.23688e+04    1.05380e+03   -2.90589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57675e+03    1.04203e+05    2.82238e+05   -1.72252e+04   -2.15775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18958e+04   -1.73590e+06    3.47338e+05   -1.38857e+06   -5.44738e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11722e+02   -2.12876e+02    8.18957e+01    3.47326e-06

           Step           Time
      225290000   450580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76230e+03    1.81710e+04    1.24865e+04    1.06403e+03   -2.92587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38970e+03    1.04240e+05    2.82004e+05   -1.71930e+04   -2.15519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19379e+04   -1.73325e+06    3.46968e+05   -1.38629e+06   -5.44441e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11390e+02   -2.12083e+02    1.96027e+01    3.55383e-06

           Step           Time
      225295000   450590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69683e+03    1.81512e+04    1.23830e+04    1.12892e+03   -2.79923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58227e+03    1.03875e+05    2.81778e+05   -1.71687e+04   -2.15692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20766e+04   -1.73522e+06    3.46467e+05   -1.38875e+06   -5.44302e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10941e+02   -2.11484e+02   -8.97996e+00    3.43902e-06

           Step           Time
      225300000   450600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46134e+03    1.78581e+04    1.23862e+04    1.11684e+03   -2.78777e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43730e+03    1.04048e+05    2.78786e+05   -1.71845e+04   -2.15422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20034e+04   -1.73609e+06    3.46217e+05   -1.38988e+06   -5.44280e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10717e+02   -2.11874e+02   -1.07069e+02    3.49289e-06

           Step           Time
      225305000   450610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50988e+03    1.82144e+04    1.22440e+04    1.04906e+03   -2.86417e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50314e+03    1.04161e+05    2.82902e+05   -1.72233e+04   -2.15883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18583e+04   -1.73648e+06    3.46316e+05   -1.39016e+06   -5.43974e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10805e+02   -2.12829e+02    1.39752e+02    3.50326e-06

           Step           Time
      225310000   450620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63132e+03    1.81495e+04    1.21823e+04    1.19338e+03   -2.85299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43943e+03    1.04516e+05    2.81258e+05   -1.71975e+04   -2.15672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18463e+04   -1.73556e+06    3.44982e+05   -1.39058e+06   -5.43632e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09608e+02   -2.12193e+02    3.10380e+01    3.59743e-06

           Step           Time
      225315000   450630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36614e+03    1.83791e+04    1.23359e+04    1.03796e+03   -2.80725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39408e+03    1.04334e+05    2.79904e+05   -1.71770e+04   -2.15310e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20626e+04   -1.73327e+06    3.45997e+05   -1.38728e+06   -5.43718e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10519e+02   -2.11688e+02    1.69581e+00    3.55016e-06

           Step           Time
      225320000   450640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24874e+03    1.83124e+04    1.22792e+04    1.01470e+03   -2.81724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57046e+03    1.04347e+05    2.78312e+05   -1.71964e+04   -2.15432e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19907e+04   -1.73626e+06    3.45112e+05   -1.39114e+06   -5.43085e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09725e+02   -2.12165e+02   -9.07693e+01    3.62003e-06

           Step           Time
      225325000   450650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42745e+03    1.78110e+04    1.23804e+04    1.09496e+03   -2.95044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62939e+03    1.04366e+05    2.81555e+05   -1.71812e+04   -2.15799e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19715e+04   -1.73688e+06    3.44992e+05   -1.39189e+06   -5.42664e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09617e+02   -2.11791e+02   -1.33622e+01    3.66234e-06

           Step           Time
      225330000   450660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46960e+03    1.78572e+04    1.24161e+04    1.04821e+03   -2.83545e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48266e+03    1.04259e+05    2.80944e+05   -1.72010e+04   -2.15710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20376e+04   -1.73662e+06    3.45749e+05   -1.39087e+06   -5.42315e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10296e+02   -2.12281e+02   -3.97469e+01    3.59710e-06

           Step           Time
      225335000   450670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45773e+03    1.75388e+04    1.24914e+04    1.12125e+03   -2.95474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52716e+03    1.03848e+05    2.80390e+05   -1.71884e+04   -2.15535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19078e+04   -1.73621e+06    3.46263e+05   -1.38995e+06   -5.42432e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10757e+02   -2.11968e+02   -5.55377e+01    3.60234e-06

           Step           Time
      225340000   450680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50367e+03    1.84780e+04    1.24935e+04    1.09354e+03   -2.91816e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40104e+03    1.03993e+05    2.82535e+05   -1.71862e+04   -2.15743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21577e+04   -1.73488e+06    3.45566e+05   -1.38931e+06   -5.41626e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10132e+02   -2.11914e+02    4.04393e+01    3.57894e-06

           Step           Time
      225345000   450690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64277e+03    1.83977e+04    1.22309e+04    1.13804e+03   -2.82154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44348e+03    1.04108e+05    2.80572e+05   -1.71435e+04   -2.15503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20595e+04   -1.73441e+06    3.48616e+05   -1.38579e+06   -5.41775e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12869e+02   -2.10865e+02   -6.32179e+01    3.79517e-06

           Step           Time
      225350000   450700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40578e+03    1.82360e+04    1.24208e+04    1.12174e+03   -2.88166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54874e+03    1.04069e+05    2.78407e+05   -1.71626e+04   -2.15434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20224e+04   -1.73616e+06    3.46899e+05   -1.38926e+06   -5.41806e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11329e+02   -2.11334e+02   -7.76580e+01    3.44105e-06

           Step           Time
      225355000   450710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20207e+03    1.85608e+04    1.24149e+04    1.06921e+03   -2.94938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48912e+03    1.04031e+05    2.79413e+05   -1.72191e+04   -2.15461e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19454e+04   -1.73565e+06    3.47346e+05   -1.38831e+06   -5.41381e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11730e+02   -2.12726e+02   -3.64735e+00    3.60195e-06

           Step           Time
      225360000   450720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67604e+03    1.83293e+04    1.24015e+04    1.11300e+03   -2.92629e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49092e+03    1.04230e+05    2.81406e+05   -1.71738e+04   -2.15739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19993e+04   -1.73584e+06    3.46417e+05   -1.38942e+06   -5.40835e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10896e+02   -2.11610e+02    1.46744e+01    3.51395e-06

           Step           Time
      225365000   450730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65074e+03    1.83596e+04    1.24774e+04    1.03214e+03   -2.85471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39086e+03    1.04089e+05    2.79400e+05   -1.71736e+04   -2.15414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21332e+04   -1.73464e+06    3.48235e+05   -1.38640e+06   -5.40705e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12527e+02   -2.11604e+02   -9.04384e+01    3.46642e-06

           Step           Time
      225370000   450740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65718e+03    1.80918e+04    1.23942e+04    1.17342e+03   -2.86078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58096e+03    1.04125e+05    2.79860e+05   -1.71586e+04   -2.15389e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21522e+04   -1.73388e+06    3.46427e+05   -1.38745e+06   -5.40419e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10905e+02   -2.11235e+02   -3.75672e+01    3.54695e-06

           Step           Time
      225375000   450750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32661e+03    1.80606e+04    1.26150e+04    1.17300e+03   -3.00133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48619e+03    1.04554e+05    2.79385e+05   -1.71954e+04   -2.15196e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19782e+04   -1.73258e+06    3.47100e+05   -1.38548e+06   -5.40151e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11509e+02   -2.12141e+02    2.32829e+01    3.37477e-06

           Step           Time
      225380000   450760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57734e+03    1.81402e+04    1.24837e+04    1.07986e+03   -2.98418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42253e+03    1.04240e+05    2.82175e+05   -1.71946e+04   -2.15817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21145e+04   -1.73611e+06    3.46184e+05   -1.38993e+06   -5.39578e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10687e+02   -2.12123e+02    1.70442e+01    3.46447e-06

           Step           Time
      225385000   450770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34505e+03    1.83413e+04    1.23892e+04    1.01515e+03   -2.84395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38787e+03    1.03881e+05    2.81720e+05   -1.71876e+04   -2.15826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19266e+04   -1.73728e+06    3.46456e+05   -1.39083e+06   -5.39888e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.11950e+02    9.20250e+00    3.41724e-06

           Step           Time
      225390000   450780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63189e+03    1.85753e+04    1.23894e+04    1.11883e+03   -2.86256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45185e+03    1.04311e+05    2.79916e+05   -1.71668e+04   -2.15233e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20332e+04   -1.73193e+06    3.46737e+05   -1.38520e+06   -5.39161e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11183e+02   -2.11437e+02   -4.51328e+01    3.56676e-06

           Step           Time
      225395000   450790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59821e+03    1.81237e+04    1.25716e+04    1.14222e+03   -2.90874e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47297e+03    1.04209e+05    2.79911e+05   -1.71715e+04   -2.15453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18925e+04   -1.73469e+06    3.47139e+05   -1.38755e+06   -5.38961e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11544e+02   -2.11553e+02   -3.08820e+01    3.24965e-06

           Step           Time
      225400000   450800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51211e+03    1.77928e+04    1.24407e+04    1.08041e+03   -2.92829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46716e+03    1.04126e+05    2.81056e+05   -1.71784e+04   -2.15649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18441e+04   -1.73627e+06    3.45445e+05   -1.39083e+06   -5.38734e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10023e+02   -2.11724e+02   -5.75261e+01    3.59630e-06

           Step           Time
      225405000   450810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21476e+03    1.84004e+04    1.22994e+04    1.03218e+03   -2.88054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57029e+03    1.04215e+05    2.82741e+05   -1.72062e+04   -2.15963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19863e+04   -1.73726e+06    3.45242e+05   -1.39202e+06   -5.38292e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09842e+02   -2.12409e+02    1.11774e+02    3.62157e-06

           Step           Time
      225410000   450820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50603e+03    1.81280e+04    1.24106e+04    1.14598e+03   -2.87519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53922e+03    1.04219e+05    2.81952e+05   -1.71856e+04   -2.15689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19979e+04   -1.73505e+06    3.47987e+05   -1.38706e+06   -5.38518e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12305e+02   -2.11900e+02    3.37565e+01    3.68816e-06

           Step           Time
      225415000   450830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64937e+03    1.81963e+04    1.23693e+04    1.03894e+03   -2.93098e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50021e+03    1.03997e+05    2.78897e+05   -1.72015e+04   -2.15224e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19581e+04   -1.73376e+06    3.47292e+05   -1.38647e+06   -5.37881e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11681e+02   -2.12292e+02    4.99921e+01    3.30497e-06

           Step           Time
      225420000   450840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61055e+03    1.86166e+04    1.24605e+04    1.02276e+03   -2.89046e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48622e+03    1.04145e+05    2.80988e+05   -1.71551e+04   -2.15250e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20104e+04   -1.73121e+06    3.45333e+05   -1.38588e+06   -5.37596e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09923e+02   -2.11151e+02    3.53864e+01    3.48793e-06

           Step           Time
      225425000   450850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56525e+03    1.81424e+04    1.24437e+04    1.12167e+03   -2.97900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58297e+03    1.04414e+05    2.82590e+05   -1.72115e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19821e+04   -1.73458e+06    3.45611e+05   -1.38897e+06   -5.37039e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10172e+02   -2.12540e+02    1.35394e+02    3.41607e-06

           Step           Time
      225430000   450860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39520e+03    1.83617e+04    1.23984e+04    1.07097e+03   -2.95652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52981e+03    1.04128e+05    2.79177e+05   -1.72170e+04   -2.15249e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19883e+04   -1.73362e+06    3.47708e+05   -1.38591e+06   -5.37525e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12055e+02   -2.12673e+02    4.31229e+01    3.47585e-06

           Step           Time
      225435000   450870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57583e+03    1.78329e+04    1.22290e+04    1.16193e+03   -2.78639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40554e+03    1.03972e+05    2.78831e+05   -1.71570e+04   -2.15457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19663e+04   -1.73654e+06    3.45047e+05   -1.39149e+06   -5.37199e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09666e+02   -2.11197e+02   -1.23189e+02    3.45500e-06

           Step           Time
      225440000   450880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47933e+03    1.80376e+04    1.23137e+04    1.09827e+03   -2.97115e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45919e+03    1.04287e+05    2.78982e+05   -1.71683e+04   -2.15599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19744e+04   -1.73750e+06    3.45249e+05   -1.39225e+06   -5.36924e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09848e+02   -2.11475e+02   -1.63572e+02    3.43565e-06

           Step           Time
      225445000   450890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60039e+03    1.81463e+04    1.23192e+04    1.13081e+03   -2.86627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53414e+03    1.03877e+05    2.82518e+05   -1.71436e+04   -2.15555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20339e+04   -1.73340e+06    3.46697e+05   -1.38670e+06   -5.36242e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11147e+02   -2.10867e+02    6.79418e+01    3.27950e-06

           Step           Time
      225450000   450900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40254e+03    1.86638e+04    1.23308e+04    1.11392e+03   -2.92354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44433e+03    1.04411e+05    2.80231e+05   -1.72139e+04   -2.15602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18286e+04   -1.73573e+06    3.46402e+05   -1.38933e+06   -5.36191e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10883e+02   -2.12598e+02   -6.30941e+01    3.58434e-06

           Step           Time
      225455000   450910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58860e+03    1.85334e+04    1.23955e+04    1.07134e+03   -2.90042e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46641e+03    1.04017e+05    2.79398e+05   -1.72015e+04   -2.15337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18307e+04   -1.73417e+06    3.45805e+05   -1.38836e+06   -5.35720e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10346e+02   -2.12293e+02   -1.34767e+01    3.56951e-06

           Step           Time
      225460000   450920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52844e+03    1.79720e+04    1.23470e+04    1.12393e+03   -2.93790e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53157e+03    1.04734e+05    2.81360e+05   -1.72211e+04   -2.15719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20594e+04   -1.73569e+06    3.47860e+05   -1.38783e+06   -5.35616e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12191e+02   -2.12776e+02    2.77387e+01    3.52607e-06

           Step           Time
      225465000   450930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55876e+03    1.81261e+04    1.24658e+04    1.10426e+03   -2.74394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42321e+03    1.04041e+05    2.80358e+05   -1.71717e+04   -2.15681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19612e+04   -1.73669e+06    3.47492e+05   -1.38919e+06   -5.35435e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11861e+02   -2.11559e+02   -5.14248e+01    3.77217e-06

           Step           Time
      225470000   450940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43779e+03    1.82342e+04    1.22630e+04    1.01171e+03   -2.74903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53754e+03    1.04406e+05    2.82006e+05   -1.71914e+04   -2.15759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21421e+04   -1.73549e+06    3.46671e+05   -1.38882e+06   -5.35005e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11124e+02   -2.12044e+02    8.56467e+01    3.61468e-06

           Step           Time
      225475000   450950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33574e+03    1.81909e+04    1.24343e+04    1.08022e+03   -2.74174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48390e+03    1.04122e+05    2.78746e+05   -1.72190e+04   -2.15309e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19579e+04   -1.73470e+06    3.46559e+05   -1.38814e+06   -5.34768e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11023e+02   -2.12725e+02    2.51427e+00    3.55385e-06

           Step           Time
      225480000   450960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41396e+03    1.85157e+04    1.22334e+04    1.19393e+03   -2.82217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44374e+03    1.03677e+05    2.80583e+05   -1.71997e+04   -2.15503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19558e+04   -1.73503e+06    3.46910e+05   -1.38812e+06   -5.34355e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11339e+02   -2.12249e+02   -1.50642e+01    3.62020e-06

           Step           Time
      225485000   450970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55070e+03    1.83309e+04    1.24394e+04    1.06520e+03   -2.80811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50653e+03    1.03733e+05    2.80554e+05   -1.72397e+04   -2.15549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18718e+04   -1.73549e+06    3.47123e+05   -1.38837e+06   -5.34061e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11529e+02   -2.13234e+02    1.01239e+01    3.53438e-06

           Step           Time
      225490000   450980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34781e+03    1.81628e+04    1.25185e+04    1.10226e+03   -2.79062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55120e+03    1.03934e+05    2.81850e+05   -1.71902e+04   -2.15784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17930e+04   -1.73656e+06    3.44997e+05   -1.39156e+06   -5.33915e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09622e+02   -2.12013e+02    2.72635e+01    3.44341e-06

           Step           Time
      225495000   450990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58150e+03    1.81452e+04    1.22881e+04    1.07432e+03   -2.85057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33963e+03    1.04064e+05    2.84617e+05   -1.71859e+04   -2.16146e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19739e+04   -1.73741e+06    3.45815e+05   -1.39160e+06   -5.33648e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10356e+02   -2.11907e+02    8.42606e+01    3.69092e-06

           Step           Time
      225500000   451000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78230e+03    1.82393e+04    1.23049e+04    1.07545e+03   -2.96863e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42282e+03    1.04122e+05    2.78795e+05   -1.71575e+04   -2.15330e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17558e+04   -1.73493e+06    3.47367e+05   -1.38756e+06   -5.33588e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11749e+02   -2.11210e+02   -1.63705e+02    3.48181e-06

           Step           Time
      225505000   451010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41756e+03    1.81986e+04    1.24595e+04    1.13652e+03   -2.78723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58451e+03    1.04181e+05    2.83016e+05   -1.72219e+04   -2.15934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18328e+04   -1.73653e+06    3.46754e+05   -1.38977e+06   -5.33020e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11198e+02   -2.12796e+02    7.95805e+01    3.48136e-06

           Step           Time
      225510000   451020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72071e+03    1.84246e+04    1.24988e+04    1.07885e+03   -2.83565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50395e+03    1.03998e+05    2.82692e+05   -1.72682e+04   -2.15842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18101e+04   -1.73580e+06    3.45733e+05   -1.39006e+06   -5.32539e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10282e+02   -2.13940e+02    1.12302e+02    3.46109e-06

           Step           Time
      225515000   451030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57689e+03    1.80829e+04    1.22125e+04    1.12368e+03   -2.79489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57858e+03    1.04356e+05    2.79312e+05   -1.72018e+04   -2.15493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21137e+04   -1.73557e+06    3.46492e+05   -1.38908e+06   -5.32486e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10963e+02   -2.12300e+02   -5.70099e+01    3.55871e-06

           Step           Time
      225520000   451040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60443e+03    1.83388e+04    1.23969e+04    1.16167e+03   -2.85559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52492e+03    1.03695e+05    2.81041e+05   -1.71812e+04   -2.15502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19912e+04   -1.73430e+06    3.48442e+05   -1.38586e+06   -5.32958e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12713e+02   -2.11791e+02    2.79289e+01    3.58241e-06

           Step           Time
      225525000   451050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44634e+03    1.81811e+04    1.24578e+04    1.06201e+03   -2.91089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54307e+03    1.04240e+05    2.82202e+05   -1.72104e+04   -2.15686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17632e+04   -1.73508e+06    3.46483e+05   -1.38860e+06   -5.32246e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10955e+02   -2.12512e+02    3.04472e+01    3.49041e-06

           Step           Time
      225530000   451060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60793e+03    1.81023e+04    1.22547e+04    1.07411e+03   -2.72367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44294e+03    1.03867e+05    2.80130e+05   -1.72176e+04   -2.15418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18899e+04   -1.73475e+06    3.45035e+05   -1.38972e+06   -5.31591e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09656e+02   -2.12690e+02   -3.63919e+01    3.63549e-06

           Step           Time
      225535000   451070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54814e+03    1.84109e+04    1.23211e+04    1.06395e+03   -2.89159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50601e+03    1.04388e+05    2.80645e+05   -1.72187e+04   -2.15307e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19561e+04   -1.73234e+06    3.45633e+05   -1.38671e+06   -5.31140e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10192e+02   -2.12717e+02    5.95298e+01    3.70366e-06

           Step           Time
      225540000   451080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67893e+03    1.81352e+04    1.24283e+04    1.05602e+03   -2.81450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55706e+03    1.03945e+05    2.81466e+05   -1.71919e+04   -2.15638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20741e+04   -1.73504e+06    3.45603e+05   -1.38944e+06   -5.31112e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10165e+02   -2.12057e+02   -9.43284e-01    3.45355e-06

           Step           Time
      225545000   451090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68335e+03    1.81622e+04    1.23021e+04    1.06719e+03   -2.77107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49222e+03    1.04062e+05    2.81642e+05   -1.71936e+04   -2.15787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20880e+04   -1.73633e+06    3.48598e+05   -1.38773e+06   -5.30762e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12853e+02   -2.12098e+02   -1.76940e+01    3.58739e-06

           Step           Time
      225550000   451100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71149e+03    1.80708e+04    1.22524e+04    1.05457e+03   -2.91716e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44377e+03    1.03997e+05    2.80611e+05   -1.72405e+04   -2.15717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20872e+04   -1.73709e+06    3.46872e+05   -1.39022e+06   -5.30278e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11304e+02   -2.13255e+02   -1.20345e+02    3.61318e-06

           Step           Time
      225555000   451110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56295e+03    1.84747e+04    1.22114e+04    1.04966e+03   -2.85528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53625e+03    1.04150e+05    2.79727e+05   -1.72025e+04   -2.15552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18641e+04   -1.73600e+06    3.46036e+05   -1.38996e+06   -5.30028e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10554e+02   -2.12316e+02   -3.21537e+01    3.55802e-06

           Step           Time
      225560000   451120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45665e+03    1.80576e+04    1.24242e+04    9.99315e+02   -2.80489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46764e+03    1.04274e+05    2.83228e+05   -1.71897e+04   -2.15880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18773e+04   -1.73601e+06    3.46082e+05   -1.38992e+06   -5.30105e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10595e+02   -2.12001e+02    8.51929e+01    3.64900e-06

           Step           Time
      225565000   451130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35898e+03    1.82689e+04    1.24632e+04    1.05762e+03   -2.94257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50952e+03    1.03689e+05    2.82049e+05   -1.71830e+04   -2.15812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19037e+04   -1.73695e+06    3.46145e+05   -1.39080e+06   -5.29512e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10652e+02   -2.11836e+02    1.74942e+01    3.44027e-06

           Step           Time
      225570000   451140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53256e+03    1.82349e+04    1.23239e+04    1.08142e+03   -2.82957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54195e+03    1.04206e+05    2.82470e+05   -1.71949e+04   -2.15729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19903e+04   -1.73494e+06    3.47479e+05   -1.38746e+06   -5.29279e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11849e+02   -2.12130e+02    1.23055e+02    3.65919e-06

           Step           Time
      225575000   451150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63773e+03    1.80826e+04    1.21569e+04    1.08116e+03   -2.88323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45455e+03    1.04472e+05    2.79343e+05   -1.72037e+04   -2.15506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18753e+04   -1.73605e+06    3.45524e+05   -1.39052e+06   -5.28631e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10094e+02   -2.12347e+02   -9.05796e+01    3.49786e-06

           Step           Time
      225580000   451160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36840e+03    1.76951e+04    1.24022e+04    1.09201e+03   -2.83365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56930e+03    1.03707e+05    2.80868e+05   -1.72011e+04   -2.15582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20204e+04   -1.73613e+06    3.45088e+05   -1.39104e+06   -5.29048e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09703e+02   -2.12283e+02    3.29012e+01    3.55314e-06

           Step           Time
      225585000   451170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56177e+03    1.79816e+04    1.22871e+04    1.08842e+03   -2.80491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51464e+03    1.03714e+05    2.81045e+05   -1.71944e+04   -2.15543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20012e+04   -1.73524e+06    3.45856e+05   -1.38938e+06   -5.28334e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10392e+02   -2.12117e+02    1.34779e+01    3.42767e-06

           Step           Time
      225590000   451180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39679e+03    1.84345e+04    1.26130e+04    1.13844e+03   -2.87844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48371e+03    1.04026e+05    2.81383e+05   -1.72008e+04   -2.15438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19961e+04   -1.73299e+06    3.47490e+05   -1.38550e+06   -5.28470e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11859e+02   -2.12274e+02    4.61760e+01    3.58311e-06

           Step           Time
      225595000   451190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49441e+03    1.80580e+04    1.24956e+04    1.04724e+03   -2.80533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49911e+03    1.04015e+05    2.82510e+05   -1.72183e+04   -2.15897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20201e+04   -1.73686e+06    3.47187e+05   -1.38967e+06   -5.27909e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11586e+02   -2.12707e+02    6.31854e+01    3.54095e-06

           Step           Time
      225600000   451200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59815e+03    1.80221e+04    1.23963e+04    1.09120e+03   -2.91391e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40216e+03    1.03928e+05    2.82735e+05   -1.72176e+04   -2.16066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21307e+04   -1.73849e+06    3.46311e+05   -1.39218e+06   -5.27679e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10800e+02   -2.12690e+02   -8.27457e+00    3.65317e-06

           Step           Time
      225605000   451210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48986e+03    1.84385e+04    1.25958e+04    1.18573e+03   -2.85777e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49407e+03    1.03721e+05    2.78918e+05   -1.72174e+04   -2.15331e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19959e+04   -1.73454e+06    3.47758e+05   -1.38679e+06   -5.27189e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12099e+02   -2.12685e+02   -1.28216e+01    3.80407e-06

           Step           Time
      225610000   451220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44624e+03    1.82820e+04    1.25208e+04    1.12362e+03   -2.90924e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47015e+03    1.03991e+05    2.79886e+05   -1.72051e+04   -2.15515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20324e+04   -1.73551e+06    3.47524e+05   -1.38798e+06   -5.27418e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11889e+02   -2.12381e+02   -2.48188e+01    3.57935e-06

           Step           Time
      225615000   451230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44407e+03    1.80326e+04    1.22813e+04    1.05554e+03   -2.90899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63269e+03    1.04278e+05    2.80518e+05   -1.72080e+04   -2.15642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22208e+04   -1.73608e+06    3.45597e+05   -1.39048e+06   -5.26590e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10160e+02   -2.12453e+02    1.27465e+01    3.58384e-06

           Step           Time
      225620000   451240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43645e+03    1.77236e+04    1.22998e+04    1.05205e+03   -2.81105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52153e+03    1.04155e+05    2.80459e+05   -1.71874e+04   -2.15687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19191e+04   -1.73730e+06    3.45466e+05   -1.39183e+06   -5.26686e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10042e+02   -2.11945e+02   -5.90703e+01    3.54191e-06

           Step           Time
      225625000   451250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36949e+03    1.79296e+04    1.24501e+04    1.05796e+03   -2.85319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52506e+03    1.03898e+05    2.80392e+05   -1.71742e+04   -2.15615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18995e+04   -1.73665e+06    3.46411e+05   -1.39024e+06   -5.26339e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10890e+02   -2.11620e+02   -6.44232e+01    3.66240e-06

           Step           Time
      225630000   451260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55734e+03    1.82825e+04    1.23575e+04    1.02659e+03   -2.83798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53189e+03    1.03461e+05    2.80369e+05   -1.72614e+04   -2.15565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18998e+04   -1.73626e+06    3.47148e+05   -1.38912e+06   -5.25518e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11552e+02   -2.13771e+02    5.62882e+01    3.53175e-06

           Step           Time
      225635000   451270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48577e+03    1.83559e+04    1.24458e+04    1.05732e+03   -2.81271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51027e+03    1.03888e+05    2.81583e+05   -1.71605e+04   -2.15580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19119e+04   -1.73454e+06    3.46529e+05   -1.38801e+06   -5.25226e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10996e+02   -2.11283e+02    1.41097e+01    3.35005e-06

           Step           Time
      225640000   451280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39781e+03    1.77381e+04    1.24048e+04    1.08421e+03   -2.87531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55970e+03    1.03734e+05    2.81231e+05   -1.72285e+04   -2.15685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19015e+04   -1.73691e+06    3.45978e+05   -1.39093e+06   -5.25005e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10502e+02   -2.12959e+02    2.43521e+01    3.51734e-06

           Step           Time
      225645000   451290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47198e+03    1.80081e+04    1.25942e+04    1.06137e+03   -2.92750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49046e+03    1.04224e+05    2.79822e+05   -1.71789e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18062e+04   -1.73619e+06    3.46729e+05   -1.38946e+06   -5.24804e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11176e+02   -2.11736e+02   -8.68798e+01    3.52366e-06

           Step           Time
      225650000   451300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46656e+03    1.83660e+04    1.23998e+04    1.10331e+03   -2.75441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55929e+03    1.04096e+05    2.80615e+05   -1.72102e+04   -2.15504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19061e+04   -1.73449e+06    3.46778e+05   -1.38771e+06   -5.24148e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11220e+02   -2.12506e+02    3.22896e+01    3.76278e-06

           Step           Time
      225655000   451310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65260e+03    1.82567e+04    1.23677e+04    1.09529e+03   -2.86428e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49844e+03    1.03798e+05    2.81836e+05   -1.72012e+04   -2.15733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21310e+04   -1.73576e+06    3.46181e+05   -1.38958e+06   -5.23971e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10684e+02   -2.12285e+02    9.36711e+00    3.55079e-06

Writing checkpoint, step 225658000 at Fri Dec  1 20:08:07 2023


           Step           Time
      225660000   451320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64462e+03    1.83178e+04    1.23061e+04    1.15138e+03   -2.74352e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53360e+03    1.03645e+05    2.82908e+05   -1.71809e+04   -2.15564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18099e+04   -1.73324e+06    3.45823e+05   -1.38742e+06   -5.23690e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10363e+02   -2.11784e+02    5.76366e+01    3.61894e-06

           Step           Time
      225665000   451330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39045e+03    1.82057e+04    1.24340e+04    1.16652e+03   -2.80404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49312e+03    1.03779e+05    2.79200e+05   -1.72028e+04   -2.15521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19302e+04   -1.73662e+06    3.45971e+05   -1.39064e+06   -5.23241e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10496e+02   -2.12324e+02   -9.33428e+01    3.57792e-06

           Step           Time
      225670000   451340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85861e+03    1.84810e+04    1.24331e+04    1.09143e+03   -2.93671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46030e+03    1.04054e+05    2.78461e+05   -1.71318e+04   -2.15019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19249e+04   -1.73150e+06    3.46612e+05   -1.38489e+06   -5.22890e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11071e+02   -2.10579e+02   -1.21648e+02    3.45262e-06

           Step           Time
      225675000   451350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57282e+03    1.81923e+04    1.24082e+04    1.02773e+03   -2.87753e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59367e+03    1.03642e+05    2.80827e+05   -1.72270e+04   -2.15448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21175e+04   -1.73421e+06    3.44230e+05   -1.38998e+06   -5.22609e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08933e+02   -2.12921e+02    5.42695e+01    3.48994e-06

           Step           Time
      225680000   451360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57985e+03    1.77868e+04    1.24276e+04    1.03435e+03   -2.75643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51109e+03    1.04142e+05    2.84753e+05   -1.72114e+04   -2.15991e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20223e+04   -1.73562e+06    3.46837e+05   -1.38879e+06   -5.22226e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11272e+02   -2.12536e+02    2.20576e+02    3.46963e-06

           Step           Time
      225685000   451370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49408e+03    1.83843e+04    1.24229e+04    1.01533e+03   -2.93374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59446e+03    1.03748e+05    2.81294e+05   -1.71689e+04   -2.15408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20722e+04   -1.73316e+06    3.48529e+05   -1.38463e+06   -5.22282e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12791e+02   -2.11489e+02    2.07416e+01    3.65677e-06

           Step           Time
      225690000   451380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47864e+03    1.80810e+04    1.21575e+04    1.19873e+03   -2.83071e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54097e+03    1.04187e+05    2.82215e+05   -1.72512e+04   -2.15917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20592e+04   -1.73734e+06    3.46399e+05   -1.39094e+06   -5.21971e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10880e+02   -2.13520e+02    7.20044e+01    3.54541e-06

           Step           Time
      225695000   451390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44382e+03    1.80510e+04    1.23969e+04    1.13145e+03   -2.87821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48986e+03    1.03512e+05    2.82429e+05   -1.71962e+04   -2.15956e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20300e+04   -1.73816e+06    3.46342e+05   -1.39181e+06   -5.21575e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10828e+02   -2.12162e+02    4.15877e+01    3.50131e-06

           Step           Time
      225700000   451400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57925e+03    1.87722e+04    1.21740e+04    1.02602e+03   -2.79806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54576e+03    1.03687e+05    2.78783e+05   -1.72028e+04   -2.15487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21861e+04   -1.73612e+06    3.45877e+05   -1.39024e+06   -5.20759e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10411e+02   -2.12325e+02   -4.90691e+01    3.40538e-06

           Step           Time
      225705000   451410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31992e+03    1.79693e+04    1.24618e+04    1.15300e+03   -2.96134e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52505e+03    1.03902e+05    2.81088e+05   -1.71869e+04   -2.15663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19637e+04   -1.73640e+06    3.45156e+05   -1.39124e+06   -5.20896e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09764e+02   -2.11933e+02    3.60481e+01    3.66965e-06

           Step           Time
      225710000   451420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58859e+03    1.83394e+04    1.24274e+04    1.03027e+03   -2.87553e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42899e+03    1.03649e+05    2.82500e+05   -1.71954e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20039e+04   -1.73534e+06    3.48064e+05   -1.38728e+06   -5.20529e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12374e+02   -2.12142e+02    6.43408e+01    4.01447e-06

           Step           Time
      225715000   451430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33002e+03    1.80208e+04    1.24522e+04    1.18418e+03   -2.92821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58955e+03    1.03897e+05    2.79101e+05   -1.71927e+04   -2.15199e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20495e+04   -1.73349e+06    3.46754e+05   -1.38673e+06   -5.20351e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11198e+02   -2.12076e+02    3.04818e+01    3.73838e-06

           Step           Time
      225720000   451440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.18559e+03    1.81076e+04    1.25446e+04    1.12636e+03   -2.81998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46742e+03    1.03769e+05    2.79812e+05   -1.71375e+04   -2.15301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21892e+04   -1.73377e+06    3.46383e+05   -1.38739e+06   -5.20360e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10865e+02   -2.10718e+02   -1.38743e+02    3.55507e-06

           Step           Time
      225725000   451450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56130e+03    1.81343e+04    1.23969e+04    1.05671e+03   -2.79622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60208e+03    1.03739e+05    2.80380e+05   -1.72062e+04   -2.15597e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18689e+04   -1.73623e+06    3.44642e+05   -1.39159e+06   -5.19205e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09303e+02   -2.12409e+02   -7.73358e+00    3.52959e-06

           Step           Time
      225730000   451460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53875e+03    1.82961e+04    1.24266e+04    1.03984e+03   -2.94541e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46489e+03    1.04218e+05    2.82359e+05   -1.71724e+04   -2.15493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20200e+04   -1.73268e+06    3.46321e+05   -1.38636e+06   -5.19412e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10810e+02   -2.11575e+02    8.06011e+01    3.48287e-06

           Step           Time
      225735000   451470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55333e+03    1.81545e+04    1.23782e+04    1.07621e+03   -2.81169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52417e+03    1.03953e+05    2.82449e+05   -1.71981e+04   -2.15727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19042e+04   -1.73529e+06    3.45911e+05   -1.38938e+06   -5.19344e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10442e+02   -2.12209e+02   -1.68471e+01    3.48962e-06

           Step           Time
      225740000   451480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55439e+03    1.84052e+04    1.23488e+04    9.96466e+02   -2.89178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59066e+03    1.04184e+05    2.80816e+05   -1.71905e+04   -2.15739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17028e+04   -1.73687e+06    3.47896e+05   -1.38898e+06   -5.19095e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12223e+02   -2.12020e+02   -6.53797e+01    3.47944e-06

           Step           Time
      225745000   451490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50039e+03    1.78286e+04    1.24070e+04    1.06500e+03   -2.82811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46351e+03    1.04268e+05    2.81872e+05   -1.71985e+04   -2.15698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19954e+04   -1.73560e+06    3.46572e+05   -1.38903e+06   -5.18631e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11035e+02   -2.12219e+02    2.45289e+01    3.55959e-06

           Step           Time
      225750000   451500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37422e+03    1.82302e+04    1.23714e+04    1.07623e+03   -2.72148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66749e+03    1.04009e+05    2.83307e+05   -1.71846e+04   -2.15927e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18845e+04   -1.73625e+06    3.46903e+05   -1.38935e+06   -5.18166e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11332e+02   -2.11876e+02    1.27295e+02    3.50588e-06

           Step           Time
      225755000   451510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62658e+03    1.82782e+04    1.23584e+04    1.08411e+03   -2.87096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51209e+03    1.03683e+05    2.79261e+05   -1.71633e+04   -2.15305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18548e+04   -1.73443e+06    3.46873e+05   -1.38755e+06   -5.18064e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11305e+02   -2.11351e+02   -4.92507e+01    3.66455e-06

           Step           Time
      225760000   451520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53971e+03    1.80253e+04    1.24383e+04    1.01459e+03   -2.83764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51136e+03    1.03752e+05    2.81107e+05   -1.71938e+04   -2.15685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20029e+04   -1.73649e+06    3.46286e+05   -1.39021e+06   -5.17788e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10778e+02   -2.12103e+02    3.49188e+01    3.63542e-06

           Step           Time
      225765000   451530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60279e+03    1.82636e+04    1.22705e+04    1.04639e+03   -2.67841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52048e+03    1.03719e+05    2.81529e+05   -1.72073e+04   -2.15672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18985e+04   -1.73575e+06    3.46669e+05   -1.38908e+06   -5.17342e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11122e+02   -2.12434e+02   -3.05266e+01    3.59473e-06

           Step           Time
      225770000   451540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24832e+03    1.79071e+04    1.24005e+04    1.10180e+03   -2.80609e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66610e+03    1.03492e+05    2.80152e+05   -1.71598e+04   -2.15485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18946e+04   -1.73595e+06    3.46330e+05   -1.38962e+06   -5.17434e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10818e+02   -2.11267e+02   -2.18505e+01    3.59312e-06

           Step           Time
      225775000   451550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45436e+03    1.85328e+04    1.24235e+04    1.04854e+03   -2.77386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55894e+03    1.03880e+05    2.82095e+05   -1.72267e+04   -2.15707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20673e+04   -1.73501e+06    3.49197e+05   -1.38581e+06   -5.16895e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13390e+02   -2.12913e+02    9.28093e+01    3.54060e-06

           Step           Time
      225780000   451560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57357e+03    1.84014e+04    1.23122e+04    1.06903e+03   -2.82619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48888e+03    1.03955e+05    2.82282e+05   -1.71801e+04   -2.15622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20317e+04   -1.73411e+06    3.46555e+05   -1.38755e+06   -5.16806e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11020e+02   -2.11765e+02    6.18671e+01    3.62925e-06

           Step           Time
      225785000   451570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52627e+03    1.84757e+04    1.22880e+04    9.86907e+02   -2.89276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41216e+03    1.03502e+05    2.79263e+05   -1.71490e+04   -2.15290e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19205e+04   -1.73457e+06    3.47491e+05   -1.38708e+06   -5.16424e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11859e+02   -2.11001e+02   -1.20782e+02    3.53653e-06

           Step           Time
      225790000   451580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47058e+03    1.86402e+04    1.24232e+04    1.06511e+03   -2.96702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47313e+03    1.03417e+05    2.79421e+05   -1.72112e+04   -2.15221e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22403e+04   -1.73324e+06    3.45581e+05   -1.38766e+06   -5.15624e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10145e+02   -2.12531e+02   -2.31497e+01    3.66430e-06

           Step           Time
      225795000   451590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67238e+03    1.85670e+04    1.24141e+04    1.11067e+03   -2.81054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42194e+03    1.03762e+05    2.81686e+05   -1.72174e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20640e+04   -1.73539e+06    3.45802e+05   -1.38959e+06   -5.15165e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10343e+02   -2.12683e+02    2.43166e+01    3.57907e-06

           Step           Time
      225800000   451600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62935e+03    1.81936e+04    1.24230e+04    1.15322e+03   -2.90352e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36240e+03    1.03636e+05    2.80955e+05   -1.71996e+04   -2.15683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20283e+04   -1.73655e+06    3.47712e+05   -1.38884e+06   -5.15362e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12058e+02   -2.12246e+02   -6.07435e+01    3.53398e-06

           Step           Time
      225805000   451610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79206e+03    1.84897e+04    1.24080e+04    1.14316e+03   -2.79794e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48443e+03    1.03770e+05    2.80276e+05   -1.72251e+04   -2.15311e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20517e+04   -1.73272e+06    3.46545e+05   -1.38617e+06   -5.14691e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11011e+02   -2.12873e+02    2.93842e+01    3.52261e-06

           Step           Time
      225810000   451620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56250e+03    1.82414e+04    1.23499e+04    1.06842e+03   -2.86671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47869e+03    1.03597e+05    2.83349e+05   -1.72267e+04   -2.16044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18374e+04   -1.73805e+06    3.47614e+05   -1.39044e+06   -5.15134e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11970e+02   -2.12915e+02    4.97250e+01    3.56482e-06

           Step           Time
      225815000   451630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57159e+03    1.84959e+04    1.24484e+04    1.01521e+03   -2.94512e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47433e+03    1.03719e+05    2.79397e+05   -1.71465e+04   -2.15184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21025e+04   -1.73270e+06    3.47171e+05   -1.38553e+06   -5.14455e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11572e+02   -2.10938e+02   -5.20015e+01    3.62938e-06

           Step           Time
      225820000   451640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52583e+03    1.81508e+04    1.25213e+04    1.15964e+03   -2.80268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47972e+03    1.03954e+05    2.81373e+05   -1.72296e+04   -2.15653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19036e+04   -1.73549e+06    3.46243e+05   -1.38925e+06   -5.13900e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10740e+02   -2.12986e+02    3.21107e+01    3.53846e-06

           Step           Time
      225825000   451650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45482e+03    1.80023e+04    1.22460e+04    1.13210e+03   -2.85907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36993e+03    1.04187e+05    2.81617e+05   -1.72077e+04   -2.15673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19241e+04   -1.73586e+06    3.44106e+05   -1.39176e+06   -5.13605e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08821e+02   -2.12444e+02   -6.91685e+00    3.63497e-06

           Step           Time
      225830000   451660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79863e+03    1.80896e+04    1.22628e+04    1.02680e+03   -2.82690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40729e+03    1.04006e+05    2.82815e+05   -1.71979e+04   -2.15818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20305e+04   -1.73576e+06    3.45444e+05   -1.39032e+06   -5.13351e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10022e+02   -2.12203e+02    1.03281e+01    3.62079e-06

           Step           Time
      225835000   451670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43248e+03    1.85516e+04    1.22676e+04    1.02868e+03   -2.84713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47120e+03    1.04003e+05    2.80185e+05   -1.71621e+04   -2.15541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21671e+04   -1.73531e+06    3.45952e+05   -1.38936e+06   -5.12918e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10479e+02   -2.11323e+02   -5.64792e+01    3.63278e-06

           Step           Time
      225840000   451680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28448e+03    1.85307e+04    1.25435e+04    1.13045e+03   -2.88107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49128e+03    1.03770e+05    2.80028e+05   -1.71627e+04   -2.14958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19539e+04   -1.72989e+06    3.47016e+05   -1.38287e+06   -5.12906e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11433e+02   -2.11337e+02    4.77302e+01    3.64136e-06

           Step           Time
      225845000   451690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54045e+03    1.81326e+04    1.25344e+04    1.14214e+03   -2.82913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50705e+03    1.04174e+05    2.80536e+05   -1.71734e+04   -2.15524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18340e+04   -1.73484e+06    3.46263e+05   -1.38858e+06   -5.12229e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10758e+02   -2.11599e+02   -7.46270e+00    3.48948e-06

           Step           Time
      225850000   451700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57404e+03    1.80834e+04    1.24043e+04    1.14257e+03   -2.82843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42769e+03    1.04175e+05    2.82575e+05   -1.71975e+04   -2.15959e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21714e+04   -1.73706e+06    3.44856e+05   -1.39221e+06   -5.11814e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09495e+02   -2.12195e+02    4.65148e+01    3.58686e-06

           Step           Time
      225855000   451710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48203e+03    1.80655e+04    1.24236e+04    1.12038e+03   -2.86356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40210e+03    1.04345e+05    2.80529e+05   -1.71279e+04   -2.15584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20783e+04   -1.73539e+06    3.46438e+05   -1.38895e+06   -5.12212e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10915e+02   -2.10482e+02   -1.20548e+02    3.42242e-06

           Step           Time
      225860000   451720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46253e+03    1.80691e+04    1.23992e+04    1.03955e+03   -2.77715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46422e+03    1.04153e+05    2.80812e+05   -1.71974e+04   -2.15620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18786e+04   -1.73589e+06    3.46529e+05   -1.38936e+06   -5.11899e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10996e+02   -2.12192e+02   -1.90059e+01    3.69551e-06

           Step           Time
      225865000   451730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56963e+03    1.78160e+04    1.25039e+04    1.02949e+03   -2.78939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47602e+03    1.04659e+05    2.81469e+05   -1.72011e+04   -2.15679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20536e+04   -1.73520e+06    3.46177e+05   -1.38902e+06   -5.11519e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10681e+02   -2.12282e+02   -7.54593e+00    3.64069e-06

           Step           Time
      225870000   451740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35066e+03    1.83745e+04    1.25420e+04    1.09284e+03   -2.82391e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46861e+03    1.04381e+05    2.84319e+05   -1.72148e+04   -2.16064e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21506e+04   -1.73600e+06    3.46268e+05   -1.38973e+06   -5.10942e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10762e+02   -2.12621e+02    1.67379e+02    3.56100e-06

           Step           Time
      225875000   451750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66593e+03    1.80036e+04    1.23656e+04    1.07111e+03   -2.99663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50887e+03    1.04304e+05    2.80177e+05   -1.72053e+04   -2.15814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17250e+04   -1.73852e+06    3.45856e+05   -1.39266e+06   -5.11028e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10392e+02   -2.12387e+02   -4.48455e+01    3.57894e-06

           Step           Time
      225880000   451760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39056e+03    1.82028e+04    1.22883e+04    1.10387e+03   -2.81170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45464e+03    1.04723e+05    2.80681e+05   -1.71612e+04   -2.15503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22296e+04   -1.73393e+06    3.45803e+05   -1.38813e+06   -5.10416e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10345e+02   -2.11300e+02   -1.48435e+01    3.50730e-06

           Step           Time
      225885000   451770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67379e+03    1.80134e+04    1.23249e+04    1.05878e+03   -2.80936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55583e+03    1.04965e+05    2.80831e+05   -1.71360e+04   -2.15379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20561e+04   -1.73226e+06    3.45512e+05   -1.38674e+06   -5.10072e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10084e+02   -2.10682e+02    8.08018e+00    3.58797e-06

           Step           Time
      225890000   451780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.13171e+03    1.83196e+04    1.24516e+04    1.15013e+03   -2.86990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47502e+03    1.04050e+05    2.78664e+05   -1.72004e+04   -2.15185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20180e+04   -1.73366e+06    3.45408e+05   -1.38825e+06   -5.10386e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09990e+02   -2.12264e+02   -5.95533e+01    3.61176e-06

           Step           Time
      225895000   451790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49911e+03    1.80945e+04    1.25841e+04    1.04902e+03   -2.99862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34380e+03    1.03947e+05    2.80264e+05   -1.72480e+04   -2.15781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20700e+04   -1.73821e+06    3.44676e+05   -1.39353e+06   -5.10136e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09333e+02   -2.13440e+02   -1.02676e+02    3.59161e-06

           Step           Time
      225900000   451800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46064e+03    1.81477e+04    1.24430e+04    1.09025e+03   -2.99748e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54633e+03    1.04362e+05    2.77320e+05   -1.71445e+04   -2.15110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20867e+04   -1.73379e+06    3.45482e+05   -1.38831e+06   -5.09709e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10056e+02   -2.10891e+02   -1.50903e+02    3.59993e-06

           Step           Time
      225905000   451810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24355e+03    1.83885e+04    1.23184e+04    1.09749e+03   -2.93626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63870e+03    1.04105e+05    2.81506e+05   -1.71965e+04   -2.15636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18241e+04   -1.73537e+06    3.44818e+05   -1.39055e+06   -5.09609e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09461e+02   -2.12168e+02    1.34143e+02    3.43902e-06

           Step           Time
      225910000   451820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54912e+03    1.80741e+04    1.25539e+04    1.11200e+03   -2.88358e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52428e+03    1.04603e+05    2.80549e+05   -1.71958e+04   -2.15465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19758e+04   -1.73378e+06    3.48628e+05   -1.38516e+06   -5.09676e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12880e+02   -2.12152e+02    7.02892e+01    3.74552e-06

           Step           Time
      225915000   451830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43008e+03    1.84598e+04    1.24774e+04    9.91205e+02   -2.95119e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45422e+03    1.03960e+05    2.80734e+05   -1.72267e+04   -2.15680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21381e+04   -1.73634e+06    3.46334e+05   -1.39000e+06   -5.08766e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10821e+02   -2.12915e+02    8.87699e+01    3.48772e-06

           Step           Time
      225920000   451840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39231e+03    1.83382e+04    1.24014e+04    1.02858e+03   -2.90845e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62846e+03    1.03528e+05    2.79337e+05   -1.71568e+04   -2.15397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19825e+04   -1.73540e+06    3.46805e+05   -1.38860e+06   -5.08501e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11244e+02   -2.11192e+02   -5.81644e+01    3.63723e-06

           Step           Time
      225925000   451850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36951e+03    1.77775e+04    1.25961e+04    1.08796e+03   -2.81307e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52762e+03    1.04095e+05    2.80043e+05   -1.72103e+04   -2.15623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18413e+04   -1.73692e+06    3.47186e+05   -1.38973e+06   -5.08345e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11586e+02   -2.12510e+02   -3.64123e+01    3.67883e-06

           Step           Time
      225930000   451860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52046e+03    1.83167e+04    1.23407e+04    1.06217e+03   -2.79359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39979e+03    1.04053e+05    2.78708e+05   -1.71724e+04   -2.15088e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19684e+04   -1.73248e+06    3.45727e+05   -1.38676e+06   -5.07986e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10276e+02   -2.11575e+02   -1.05485e+02    3.56113e-06

           Step           Time
      225935000   451870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61051e+03    1.82017e+04    1.25227e+04    1.04560e+03   -2.89480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58723e+03    1.03756e+05    2.81646e+05   -1.71495e+04   -2.15527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19039e+04   -1.73404e+06    3.44745e+05   -1.38929e+06   -5.07251e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09395e+02   -2.11012e+02   -4.58644e+00    3.42237e-06

           Step           Time
      225940000   451880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35782e+03    1.79396e+04    1.24119e+04    1.05788e+03   -2.90064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52027e+03    1.04304e+05    2.82238e+05   -1.71770e+04   -2.15828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19938e+04   -1.73654e+06    3.44797e+05   -1.39174e+06   -5.07149e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09442e+02   -2.11689e+02    1.04948e+01    3.56100e-06

           Step           Time
      225945000   451890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66209e+03    1.84287e+04    1.25068e+04    1.06395e+03   -2.87079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47885e+03    1.03585e+05    2.81468e+05   -1.71892e+04   -2.15528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19347e+04   -1.73421e+06    3.47597e+05   -1.38661e+06   -5.07099e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11955e+02   -2.11990e+02    6.12269e+01    3.52880e-06

           Step           Time
      225950000   451900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54683e+03    1.84326e+04    1.23053e+04    1.12653e+03   -2.85662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68695e+03    1.03814e+05    2.80565e+05   -1.71700e+04   -2.15193e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18600e+04   -1.73162e+06    3.45786e+05   -1.38584e+06   -5.06488e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10329e+02   -2.11516e+02    1.27633e+02    3.67066e-06

           Step           Time
      225955000   451910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36376e+03    1.81550e+04    1.25087e+04    1.11882e+03   -2.92914e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50965e+03    1.03512e+05    2.77897e+05   -1.72103e+04   -2.15248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19588e+04   -1.73560e+06    3.45545e+05   -1.39005e+06   -5.06689e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10113e+02   -2.12509e+02   -1.53234e+02    3.60169e-06

           Step           Time
      225960000   451920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76224e+03    1.81460e+04    1.25286e+04    1.14515e+03   -2.89250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48606e+03    1.03718e+05    2.81057e+05   -1.71753e+04   -2.15382e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21699e+04   -1.73287e+06    3.45518e+05   -1.38735e+06   -5.05769e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10089e+02   -2.11647e+02   -1.63590e+01    3.73796e-06

           Step           Time
      225965000   451930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60768e+03    1.81578e+04    1.26197e+04    9.74217e+02   -2.94626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51977e+03    1.04222e+05    2.84905e+05   -1.72195e+04   -2.15998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19613e+04   -1.73517e+06    3.46040e+05   -1.38914e+06   -5.05405e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10557e+02   -2.12737e+02    1.52126e+02    3.54039e-06

           Step           Time
      225970000   451940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50041e+03    1.84737e+04    1.23717e+04    1.17601e+03   -2.96156e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59982e+03    1.03677e+05    2.81257e+05   -1.72019e+04   -2.15923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18743e+04   -1.73846e+06    3.47211e+05   -1.39125e+06   -5.05065e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11608e+02   -2.12301e+02   -1.47168e+01    3.52125e-06

           Step           Time
      225975000   451950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69140e+03    1.81378e+04    1.23742e+04    1.05173e+03   -2.98572e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45315e+03    1.03597e+05    2.81182e+05   -1.71793e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20176e+04   -1.73540e+06    3.46152e+05   -1.38925e+06   -5.05002e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10658e+02   -2.11745e+02   -6.62557e+01    3.62226e-06

           Step           Time
      225980000   451960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59962e+03    1.84798e+04    1.25957e+04    1.04530e+03   -2.94664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38584e+03    1.03546e+05    2.81679e+05   -1.72432e+04   -2.15734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20220e+04   -1.73617e+06    3.47092e+05   -1.38908e+06   -5.04145e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11501e+02   -2.13322e+02    7.59402e+01    3.49578e-06

           Step           Time
      225985000   451970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59854e+03    1.81616e+04    1.24476e+04    1.01306e+03   -2.93774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45500e+03    1.04216e+05    2.80588e+05   -1.72040e+04   -2.15656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20919e+04   -1.73613e+06    3.46664e+05   -1.38947e+06   -5.04205e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11118e+02   -2.12354e+02   -8.69406e+00    3.58504e-06

           Step           Time
      225990000   451980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35770e+03    1.82618e+04    1.25220e+04    1.07488e+03   -2.87621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41399e+03    1.03931e+05    2.77988e+05   -1.71383e+04   -2.14948e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21436e+04   -1.73180e+06    3.45623e+05   -1.38618e+06   -5.04125e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10183e+02   -2.10736e+02   -6.78670e+01    3.53884e-06

           Step           Time
      225995000   451990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56502e+03    1.83646e+04    1.22549e+04    9.97276e+02   -2.86134e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51776e+03    1.04005e+05    2.79633e+05   -1.71759e+04   -2.15342e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19964e+04   -1.73413e+06    3.47832e+05   -1.38630e+06   -5.03878e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12165e+02   -2.11661e+02   -2.28223e+01    3.62779e-06

           Step           Time
      226000000   452000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48888e+03    1.77910e+04    1.24813e+04    1.07347e+03   -2.77680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53254e+03    1.04049e+05    2.79770e+05   -1.72274e+04   -2.15640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18599e+04   -1.73736e+06    3.46107e+05   -1.39125e+06   -5.03608e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10617e+02   -2.12932e+02   -8.68865e+00    3.51319e-06

           Step           Time
      226005000   452010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35151e+03    1.79335e+04    1.25221e+04    1.01053e+03   -2.87571e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58504e+03    1.04100e+05    2.83017e+05   -1.72016e+04   -2.15791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18439e+04   -1.73562e+06    3.44781e+05   -1.39084e+06   -5.03331e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09427e+02   -2.12295e+02    1.75783e+02    3.61716e-06

           Step           Time
      226010000   452020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60164e+03    1.85094e+04    1.23056e+04    1.12501e+03   -2.85213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51856e+03    1.04097e+05    2.82196e+05   -1.71821e+04   -2.15428e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20253e+04   -1.73194e+06    3.47846e+05   -1.38409e+06   -5.03050e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12178e+02   -2.11815e+02    9.85230e+01    3.50728e-06

           Step           Time
      226015000   452030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44235e+03    1.77449e+04    1.22427e+04    9.79205e+02   -2.81209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48508e+03    1.04119e+05    2.80975e+05   -1.71842e+04   -2.15897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17871e+04   -1.73919e+06    3.44634e+05   -1.39455e+06   -5.03419e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09296e+02   -2.11865e+02   -1.17350e+02    3.61720e-06

           Step           Time
      226020000   452040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51696e+03    1.78909e+04    1.23651e+04    9.90698e+02   -2.94143e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65982e+03    1.04348e+05    2.81332e+05   -1.72209e+04   -2.15633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21020e+04   -1.73528e+06    3.46309e+05   -1.38897e+06   -5.02812e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10799e+02   -2.12771e+02    8.24251e+01    3.61115e-06

           Step           Time
      226025000   452050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38581e+03    1.85255e+04    1.21600e+04    9.77868e+02   -2.80682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60455e+03    1.04052e+05    2.81626e+05   -1.71633e+04   -2.15393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20441e+04   -1.73252e+06    3.46642e+05   -1.38588e+06   -5.02469e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11097e+02   -2.11351e+02    1.19572e+02    3.71010e-06

           Step           Time
      226030000   452060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47174e+03    1.84774e+04    1.23613e+04    1.07152e+03   -2.81896e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60905e+03    1.03736e+05    2.82902e+05   -1.71688e+04   -2.15679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21020e+04   -1.73405e+06    3.45506e+05   -1.38854e+06   -5.01912e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10078e+02   -2.11488e+02    8.96760e+01    3.58506e-06

           Step           Time
      226035000   452070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64089e+03    1.80466e+04    1.24899e+04    1.03316e+03   -2.92267e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56742e+03    1.03752e+05    2.83167e+05   -1.72177e+04   -2.16114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19267e+04   -1.73865e+06    3.46781e+05   -1.39187e+06   -5.01985e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11223e+02   -2.12691e+02    7.55747e+01    3.49277e-06

           Step           Time
      226040000   452080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62793e+03    1.81059e+04    1.21506e+04    9.73871e+02   -2.78230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69871e+03    1.04042e+05    2.78924e+05   -1.71814e+04   -2.15229e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20125e+04   -1.73372e+06    3.45552e+05   -1.38817e+06   -5.01546e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10119e+02   -2.11797e+02   -1.20101e+01    3.65713e-06

           Step           Time
      226045000   452090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40134e+03    1.85655e+04    1.24260e+04    1.11400e+03   -2.97069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52367e+03    1.03923e+05    2.82079e+05   -1.71719e+04   -2.15560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20609e+04   -1.73365e+06    3.48618e+05   -1.38503e+06   -5.01240e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12871e+02   -2.11562e+02    8.61790e+01    3.69972e-06

           Step           Time
      226050000   452100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56650e+03    1.82076e+04    1.23895e+04    1.05032e+03   -2.88342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53248e+03    1.03638e+05    2.80624e+05   -1.71901e+04   -2.15390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19045e+04   -1.73406e+06    3.47518e+05   -1.38654e+06   -5.01024e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11884e+02   -2.12012e+02    1.50805e+01    3.50858e-06

           Step           Time
      226055000   452110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46839e+03    1.82978e+04    1.25452e+04    1.08609e+03   -2.87732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44321e+03    1.03836e+05    2.81413e+05   -1.71998e+04   -2.15754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18089e+04   -1.73671e+06    3.49217e+05   -1.38750e+06   -5.01169e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13409e+02   -2.12251e+02   -4.06388e+00    3.56407e-06

           Step           Time
      226060000   452120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35254e+03    1.86767e+04    1.24884e+04    1.01043e+03   -2.81856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47986e+03    1.03817e+05    2.79399e+05   -1.71875e+04   -2.15497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19607e+04   -1.73579e+06    3.45004e+05   -1.39079e+06   -5.00275e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09628e+02   -2.11947e+02   -1.35805e+02    3.60495e-06

           Step           Time
      226065000   452130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64130e+03    1.82550e+04    1.24662e+04    1.10826e+03   -2.79972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47769e+03    1.03693e+05    2.81443e+05   -1.71752e+04   -2.15560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21090e+04   -1.73438e+06    3.47397e+05   -1.38698e+06   -5.00466e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11775e+02   -2.11645e+02    2.29960e+01    3.69779e-06

           Step           Time
      226070000   452140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42175e+03    1.81462e+04    1.23123e+04    1.08193e+03   -2.84031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47866e+03    1.04151e+05    2.80559e+05   -1.71714e+04   -2.15488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18563e+04   -1.73488e+06    3.46386e+05   -1.38850e+06   -5.00129e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10868e+02   -2.11550e+02   -9.86015e+01    3.58775e-06

           Step           Time
      226075000   452150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37475e+03    1.83087e+04    1.23773e+04    1.05749e+03   -2.83180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48696e+03    1.03821e+05    2.83260e+05   -1.72268e+04   -2.15851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19769e+04   -1.73591e+06    3.46946e+05   -1.38896e+06   -4.99696e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11371e+02   -2.12915e+02    1.50198e+02    3.65645e-06

           Step           Time
      226080000   452160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54919e+03    1.85940e+04    1.24555e+04    1.05745e+03   -2.84843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51371e+03    1.03583e+05    2.79020e+05   -1.71765e+04   -2.15080e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17348e+04   -1.73232e+06    3.46995e+05   -1.38533e+06   -4.99351e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11415e+02   -2.11677e+02   -3.22586e+01    3.57098e-06

           Step           Time
      226085000   452170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37237e+03    1.83817e+04    1.25458e+04    1.10983e+03   -3.01062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58380e+03    1.03605e+05    2.81969e+05   -1.71976e+04   -2.15666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19435e+04   -1.73536e+06    3.48138e+05   -1.38722e+06   -4.99475e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12440e+02   -2.12196e+02    1.56683e+01    3.53789e-06

           Step           Time
      226090000   452180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59585e+03    1.81598e+04    1.21996e+04    1.11963e+03   -2.89251e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54758e+03    1.03444e+05    2.79559e+05   -1.71454e+04   -2.15249e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20439e+04   -1.73386e+06    3.48248e+05   -1.38561e+06   -4.99295e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12539e+02   -2.10911e+02   -9.35176e+01    3.63666e-06

           Step           Time
      226095000   452190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56709e+03    1.79235e+04    1.24864e+04    1.05460e+03   -2.85353e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50028e+03    1.04345e+05    2.81420e+05   -1.71919e+04   -2.15733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19383e+04   -1.73614e+06    3.45507e+05   -1.39063e+06   -4.98429e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10079e+02   -2.12055e+02   -3.08662e+01    3.53939e-06

           Step           Time
      226100000   452200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64664e+03    1.83709e+04    1.24243e+04    1.10483e+03   -2.78006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66848e+03    1.04071e+05    2.82451e+05   -1.71605e+04   -2.15539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20849e+04   -1.73251e+06    3.46551e+05   -1.38596e+06   -4.98005e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11016e+02   -2.11283e+02    6.98610e+01    3.61947e-06

           Step           Time
      226105000   452210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61629e+03    1.81504e+04    1.25071e+04    1.07645e+03   -2.84190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44163e+03    1.04162e+05    2.81908e+05   -1.71507e+04   -2.15565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21427e+04   -1.73364e+06    3.47277e+05   -1.38636e+06   -4.98134e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11668e+02   -2.11042e+02    3.82332e+00    3.72694e-06

           Step           Time
      226110000   452220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60463e+03    1.85739e+04    1.24798e+04    1.07228e+03   -2.75337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42609e+03    1.03962e+05    2.82129e+05   -1.71813e+04   -2.15532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19967e+04   -1.73301e+06    3.48116e+05   -1.38489e+06   -4.97816e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12421e+02   -2.11795e+02    2.20819e+01    3.64369e-06

           Step           Time
      226115000   452230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75786e+03    1.80369e+04    1.23301e+04    1.05496e+03   -2.77384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53273e+03    1.04426e+05    2.79634e+05   -1.71747e+04   -2.15326e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19814e+04   -1.73345e+06    3.46272e+05   -1.38718e+06   -4.97226e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10766e+02   -2.11632e+02   -1.09211e+02    3.45328e-06

           Step           Time
      226120000   452240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44576e+03    1.81315e+04    1.25325e+04    1.03193e+03   -2.92517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51646e+03    1.04088e+05    2.79650e+05   -1.72190e+04   -2.15616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21286e+04   -1.73678e+06    3.47990e+05   -1.38879e+06   -4.97369e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12308e+02   -2.12724e+02   -9.22198e+00    3.56678e-06

           Step           Time
      226125000   452250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24370e+03    1.82114e+04    1.24040e+04    1.10407e+03   -2.86345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52683e+03    1.04629e+05    2.83231e+05   -1.71901e+04   -2.15997e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19647e+04   -1.73671e+06    3.45405e+05   -1.39131e+06   -4.96701e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09988e+02   -2.12012e+02    8.20476e+01    3.76875e-06

           Step           Time
      226130000   452260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21368e+03    1.83921e+04    1.24223e+04    1.04084e+03   -2.87529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47166e+03    1.04523e+05    2.81764e+05   -1.72340e+04   -2.15783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19519e+04   -1.73616e+06    3.48237e+05   -1.38792e+06   -4.96346e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12529e+02   -2.13095e+02    8.61519e+01    3.56633e-06

           Step           Time
      226135000   452270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.17530e+03    1.81248e+04    1.23500e+04    1.14807e+03   -2.82921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65852e+03    1.04506e+05    2.80320e+05   -1.71659e+04   -2.15796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19657e+04   -1.73770e+06    3.45537e+05   -1.39217e+06   -4.96202e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10106e+02   -2.11415e+02   -3.29935e+01    3.57042e-06

           Step           Time
      226140000   452280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48267e+03    1.84541e+04    1.23952e+04    1.07412e+03   -2.91065e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57034e+03    1.04025e+05    2.81112e+05   -1.72126e+04   -2.15562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20366e+04   -1.73460e+06    3.46228e+05   -1.38837e+06   -4.95709e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10726e+02   -2.12566e+02    2.04324e+01    3.71534e-06

           Step           Time
      226145000   452290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65250e+03    1.81727e+04    1.24627e+04    1.17413e+03   -2.96028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46097e+03    1.03901e+05    2.82137e+05   -1.71805e+04   -2.15614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20115e+04   -1.73431e+06    3.45688e+05   -1.38862e+06   -4.95451e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10241e+02   -2.11774e+02    8.76804e+00    3.47900e-06

           Step           Time
      226150000   452300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47608e+03    1.83871e+04    1.22647e+04    1.09860e+03   -2.82705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52727e+03    1.03810e+05    2.82083e+05   -1.71594e+04   -2.15484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21072e+04   -1.73307e+06    3.46449e+05   -1.38663e+06   -4.95286e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10925e+02   -2.11256e+02    7.01897e+01    3.68140e-06

           Step           Time
      226155000   452310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45743e+03    1.85896e+04    1.24084e+04    1.10381e+03   -2.98749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41123e+03    1.04043e+05    2.82375e+05   -1.71850e+04   -2.15828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21253e+04   -1.73594e+06    3.46591e+05   -1.38935e+06   -4.94908e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11052e+02   -2.11885e+02   -1.08883e+01    3.66050e-06

           Step           Time
      226160000   452320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59446e+03    1.85993e+04    1.23427e+04    1.15694e+03   -2.77229e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48115e+03    1.03799e+05    2.81452e+05   -1.71405e+04   -2.15360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21281e+04   -1.73196e+06    3.44973e+05   -1.38699e+06   -4.94424e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09600e+02   -2.10791e+02   -3.39678e+01    3.61849e-06

           Step           Time
      226165000   452330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43363e+03    1.80656e+04    1.23203e+04    1.01561e+03   -2.80438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57103e+03    1.03853e+05    2.80257e+05   -1.71783e+04   -2.15491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20980e+04   -1.73528e+06    3.44820e+05   -1.39046e+06   -4.94204e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09463e+02   -2.11721e+02   -1.29032e+01    3.73744e-06

           Step           Time
      226170000   452340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43673e+03    1.83612e+04    1.24334e+04    1.08611e+03   -2.93711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54868e+03    1.04178e+05    2.82522e+05   -1.71888e+04   -2.15772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20171e+04   -1.73526e+06    3.47002e+05   -1.38826e+06   -4.94050e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11420e+02   -2.11979e+02    6.54789e+01    3.70534e-06

           Step           Time
      226175000   452350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40058e+03    1.82920e+04    1.22574e+04    1.03444e+03   -2.86587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63467e+03    1.04230e+05    2.81047e+05   -1.71695e+04   -2.15543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20250e+04   -1.73454e+06    3.45080e+05   -1.38946e+06   -4.94056e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09696e+02   -2.11505e+02    1.04718e+02    3.71252e-06

           Step           Time
      226180000   452360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51857e+03    1.84399e+04    1.23040e+04    1.07875e+03   -2.83791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48716e+03    1.03803e+05    2.80202e+05   -1.72139e+04   -2.15438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19540e+04   -1.73464e+06    3.46877e+05   -1.38776e+06   -4.94094e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11309e+02   -2.12599e+02   -2.80256e+01    3.60114e-06

           Step           Time
      226185000   452370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70960e+03    1.83587e+04    1.23043e+04    1.06041e+03   -2.87633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54308e+03    1.04054e+05    2.78904e+05   -1.71235e+04   -2.14960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18517e+04   -1.73081e+06    3.47685e+05   -1.38313e+06   -4.93376e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12034e+02   -2.10374e+02   -5.02001e+01    3.47479e-06

           Step           Time
      226190000   452380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64793e+03    1.80221e+04    1.23198e+04    1.06381e+03   -2.84597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47825e+03    1.03790e+05    2.81544e+05   -1.71948e+04   -2.15686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20184e+04   -1.73602e+06    3.47129e+05   -1.38889e+06   -4.92946e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11535e+02   -2.12127e+02    6.20421e+00    3.59217e-06

           Step           Time
      226195000   452390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50320e+03    1.79620e+04    1.24932e+04    1.02069e+03   -2.96345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46994e+03    1.03802e+05    2.78503e+05   -1.71803e+04   -2.15521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17522e+04   -1.73785e+06    3.47185e+05   -1.39067e+06   -4.92991e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11585e+02   -2.11770e+02   -1.83335e+02    3.62357e-06

           Step           Time
      226200000   452400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58358e+03    1.84415e+04    1.22206e+04    1.06634e+03   -2.86083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47028e+03    1.03875e+05    2.77782e+05   -1.71556e+04   -2.14959e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20512e+04   -1.73211e+06    3.45142e+05   -1.38697e+06   -4.92515e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09751e+02   -2.11163e+02   -5.61664e+01    3.63594e-06

           Step           Time
      226205000   452410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29324e+03    1.82533e+04    1.23498e+04    1.06706e+03   -2.90178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51791e+03    1.04722e+05    2.80767e+05   -1.72084e+04   -2.15616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18329e+04   -1.73547e+06    3.47124e+05   -1.38834e+06   -4.92104e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11530e+02   -2.12463e+02    5.19601e+01    3.53752e-06

           Step           Time
      226210000   452420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81993e+03    1.80682e+04    1.24446e+04    1.04592e+03   -2.93534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45582e+03    1.04391e+05    2.80400e+05   -1.71599e+04   -2.15526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20899e+04   -1.73464e+06    3.46591e+05   -1.38805e+06   -4.91661e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11052e+02   -2.11267e+02   -1.31383e+01    3.65023e-06

           Step           Time
      226215000   452430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49420e+03    1.78998e+04    1.25073e+04    1.08241e+03   -2.96864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52147e+03    1.04055e+05    2.82721e+05   -1.72291e+04   -2.15935e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18919e+04   -1.73737e+06    3.47165e+05   -1.39021e+06   -4.91669e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11567e+02   -2.12974e+02    1.06210e+02    3.61230e-06

           Step           Time
      226220000   452440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41992e+03    1.81733e+04    1.24042e+04    1.00041e+03   -2.90824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46187e+03    1.03860e+05    2.82284e+05   -1.71888e+04   -2.15735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20080e+04   -1.73584e+06    3.45852e+05   -1.38999e+06   -4.91460e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10389e+02   -2.11980e+02    7.69591e+01    3.67389e-06

           Step           Time
      226225000   452450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57196e+03    1.83903e+04    1.23302e+04    1.03935e+03   -2.85886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59696e+03    1.03979e+05    2.82961e+05   -1.72066e+04   -2.15736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17355e+04   -1.73482e+06    3.46219e+05   -1.38860e+06   -4.90659e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10718e+02   -2.12419e+02    1.32557e+02    3.56554e-06

           Step           Time
      226230000   452460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43129e+03    1.81275e+04    1.26373e+04    1.05965e+03   -2.87167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67219e+03    1.04023e+05    2.80661e+05   -1.72180e+04   -2.15793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18583e+04   -1.73755e+06    3.46267e+05   -1.39128e+06   -4.90384e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10761e+02   -2.12700e+02   -2.88616e+01    3.56932e-06

           Step           Time
      226235000   452470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52182e+03    1.83125e+04    1.24764e+04    1.07330e+03   -2.89950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46124e+03    1.04063e+05    2.80008e+05   -1.71753e+04   -2.15378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20758e+04   -1.73386e+06    3.46501e+05   -1.38736e+06   -4.89921e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10971e+02   -2.11647e+02   -6.91346e+01    3.66568e-06

           Step           Time
      226240000   452480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68027e+03    1.79805e+04    1.24024e+04    1.04589e+03   -2.76961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43341e+03    1.03759e+05    2.78537e+05   -1.72147e+04   -2.15272e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19498e+04   -1.73491e+06    3.45941e+05   -1.38897e+06   -4.89828e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10468e+02   -2.12617e+02   -1.00044e+02    3.57236e-06

           Step           Time
      226245000   452490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25626e+03    1.86256e+04    1.23765e+04    1.05223e+03   -2.73453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54281e+03    1.03870e+05    2.79741e+05   -1.71772e+04   -2.15483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18757e+04   -1.73540e+06    3.45509e+05   -1.38989e+06   -4.89120e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10081e+02   -2.11694e+02   -1.72427e+01    3.40156e-06

           Step           Time
      226250000   452500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49240e+03    1.86308e+04    1.22165e+04    1.10241e+03   -2.85785e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49509e+03    1.03865e+05    2.81096e+05   -1.72047e+04   -2.15763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19533e+04   -1.73684e+06    3.43815e+05   -1.39303e+06   -4.88755e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08561e+02   -2.12371e+02    1.51941e+01    3.42516e-06

           Step           Time
      226255000   452510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80914e+03    1.82934e+04    1.22759e+04    1.11814e+03   -2.85043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35436e+03    1.04064e+05    2.79834e+05   -1.71938e+04   -2.15364e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22283e+04   -1.73370e+06    3.46433e+05   -1.38727e+06   -4.88489e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10910e+02   -2.12102e+02   -3.32523e+01    3.61900e-06

           Step           Time
      226260000   452520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41220e+03    1.84111e+04    1.27440e+04    1.00336e+03   -2.99573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47045e+03    1.03981e+05    2.80059e+05   -1.71330e+04   -2.15322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18549e+04   -1.73341e+06    3.47256e+05   -1.38616e+06   -4.88664e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11649e+02   -2.10607e+02   -2.93055e+01    3.41623e-06

           Step           Time
      226265000   452530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64799e+03    1.79052e+04    1.24154e+04    1.10232e+03   -2.88947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50078e+03    1.04184e+05    2.79230e+05   -1.71703e+04   -2.15205e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19688e+04   -1.73316e+06    3.45636e+05   -1.38752e+06   -4.88106e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10194e+02   -2.11525e+02   -9.59670e+01    3.61707e-06

           Step           Time
      226270000   452540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46070e+03    1.80094e+04    1.22305e+04    1.05302e+03   -2.89536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49300e+03    1.04302e+05    2.82155e+05   -1.71916e+04   -2.15967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19573e+04   -1.73810e+06    3.45857e+05   -1.39224e+06   -4.88089e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10393e+02   -2.12049e+02   -4.03135e+01    3.67390e-06

           Step           Time
      226275000   452550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75321e+03    1.79940e+04    1.23904e+04    1.11601e+03   -2.99809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48523e+03    1.04154e+05    2.80289e+05   -1.72076e+04   -2.15628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18770e+04   -1.73643e+06    3.47266e+05   -1.38916e+06   -4.87660e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11657e+02   -2.12442e+02   -3.86749e+01    3.59667e-06

           Step           Time
      226280000   452560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47318e+03    1.84275e+04    1.22252e+04    1.08011e+03   -2.86885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43490e+03    1.04029e+05    2.81737e+05   -1.72060e+04   -2.15526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19448e+04   -1.73398e+06    3.47839e+05   -1.38614e+06   -4.88035e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12172e+02   -2.12403e+02    5.99371e+01    3.71966e-06

           Step           Time
      226285000   452570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41882e+03    1.79896e+04    1.23469e+04    1.06450e+03   -2.86646e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58569e+03    1.04818e+05    2.81320e+05   -1.71761e+04   -2.15676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18802e+04   -1.73538e+06    3.45446e+05   -1.38994e+06   -4.87206e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10024e+02   -2.11666e+02    3.13334e+01    3.62675e-06

           Step           Time
      226290000   452580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59817e+03    1.82237e+04    1.23502e+04    1.10847e+03   -2.91609e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48512e+03    1.03616e+05    2.81880e+05   -1.71669e+04   -2.15756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19220e+04   -1.73646e+06    3.46980e+05   -1.38948e+06   -4.87174e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11401e+02   -2.11441e+02   -2.11071e+00    3.75932e-06

           Step           Time
      226295000   452590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46449e+03    1.82143e+04    1.22717e+04    9.87723e+02   -2.84207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49801e+03    1.04013e+05    2.83304e+05   -1.72150e+04   -2.16234e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19230e+04   -1.73972e+06    3.45807e+05   -1.39391e+06   -4.86658e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10349e+02   -2.12625e+02    4.22637e+01    3.58222e-06

           Step           Time
      226300000   452600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39714e+03    1.82929e+04    1.26051e+04    1.09738e+03   -2.86004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57364e+03    1.04394e+05    2.82227e+05   -1.72077e+04   -2.15638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19794e+04   -1.73388e+06    3.48235e+05   -1.38565e+06   -4.85932e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12528e+02   -2.12444e+02    1.19522e+02    3.63607e-06

           Step           Time
      226305000   452610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77386e+03    1.79132e+04    1.24341e+04    1.00404e+03   -2.87548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57735e+03    1.04036e+05    2.77521e+05   -1.71573e+04   -2.15087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19724e+04   -1.73367e+06    3.45369e+05   -1.38830e+06   -4.85770e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09955e+02   -2.11204e+02   -1.41034e+02    3.47053e-06

           Step           Time
      226310000   452620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53438e+03    1.78606e+04    1.24641e+04    1.07647e+03   -2.81858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53884e+03    1.04160e+05    2.82562e+05   -1.72218e+04   -2.15651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21254e+04   -1.73422e+06    3.46886e+05   -1.38734e+06   -4.85355e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11316e+02   -2.12793e+02    1.18006e+02    3.58869e-06

           Step           Time
      226315000   452630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48500e+03    1.84832e+04    1.24530e+04    1.07548e+03   -2.97009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56894e+03    1.03990e+05    2.84678e+05   -1.72014e+04   -2.16280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18793e+04   -1.73835e+06    3.47235e+05   -1.39112e+06   -4.84909e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11630e+02   -2.12291e+02    9.56430e+01    3.41210e-06

           Step           Time
      226320000   452640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82290e+03    1.82736e+04    1.23378e+04    1.09112e+03   -2.90387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49032e+03    1.03787e+05    2.79917e+05   -1.71772e+04   -2.15342e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22342e+04   -1.73355e+06    3.47064e+05   -1.38649e+06   -4.84678e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11477e+02   -2.11694e+02   -4.76089e+01    3.79244e-06

           Step           Time
      226325000   452650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57978e+03    1.83624e+04    1.23282e+04    1.12318e+03   -2.83561e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62452e+03    1.03263e+05    2.78977e+05   -1.71766e+04   -2.15241e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19111e+04   -1.73426e+06    3.46258e+05   -1.38800e+06   -4.84524e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10753e+02   -2.11679e+02   -5.29816e+01    3.64357e-06

           Step           Time
      226330000   452660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54595e+03    1.82563e+04    1.24563e+04    1.03907e+03   -2.99834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52938e+03    1.04336e+05    2.84088e+05   -1.71922e+04   -2.16064e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22231e+04   -1.73635e+06    3.46748e+05   -1.38961e+06   -4.83878e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11193e+02   -2.12063e+02    1.48700e+02    3.65619e-06

Writing checkpoint, step 226331900 at Fri Dec  1 20:23:07 2023


           Step           Time
      226335000   452670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48754e+03    1.83723e+04    1.23066e+04    1.08877e+03   -2.85083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37234e+03    1.03702e+05    2.80368e+05   -1.71340e+04   -2.15270e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21322e+04   -1.73286e+06    3.46812e+05   -1.38604e+06   -4.83964e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11250e+02   -2.10632e+02   -1.22304e+02    3.63199e-06

           Step           Time
      226340000   452680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47515e+03    1.81487e+04    1.24453e+04    1.03826e+03   -3.00403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50105e+03    1.03931e+05    2.80671e+05   -1.71640e+04   -2.15335e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19558e+04   -1.73335e+06    3.44826e+05   -1.38852e+06   -4.83461e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09468e+02   -2.11369e+02   -2.61542e+01    3.57090e-06

           Step           Time
      226345000   452690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67038e+03    1.83841e+04    1.23795e+04    9.92831e+02   -2.84873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45636e+03    1.03630e+05    2.81646e+05   -1.71832e+04   -2.15441e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19845e+04   -1.73330e+06    3.47360e+05   -1.38594e+06   -4.83092e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11742e+02   -2.11842e+02    3.34142e+01    3.50832e-06

           Step           Time
      226350000   452700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34930e+03    1.82540e+04    1.23578e+04    1.08484e+03   -2.93918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43386e+03    1.03938e+05    2.82792e+05   -1.71927e+04   -2.15957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19834e+04   -1.73751e+06    3.44796e+05   -1.39271e+06   -4.82315e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09441e+02   -2.12075e+02    1.94701e+01    3.44926e-06

           Step           Time
      226355000   452710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56737e+03    1.79518e+04    1.24627e+04    1.09423e+03   -2.84742e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52713e+03    1.04011e+05    2.82702e+05   -1.71934e+04   -2.15908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19916e+04   -1.73681e+06    3.46128e+05   -1.39068e+06   -4.82395e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10637e+02   -2.12092e+02    3.82827e+01    3.51865e-06

           Step           Time
      226360000   452720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51217e+03    1.83458e+04    1.22338e+04    1.05480e+03   -2.89695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53040e+03    1.04093e+05    2.79186e+05   -1.71663e+04   -2.15214e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20330e+04   -1.73322e+06    3.46865e+05   -1.38635e+06   -4.82189e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11298e+02   -2.11424e+02   -1.19513e+01    3.59112e-06

           Step           Time
      226365000   452730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39485e+03    1.84639e+04    1.23205e+04    1.10754e+03   -2.84100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53748e+03    1.03865e+05    2.78659e+05   -1.72020e+04   -2.15378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19211e+04   -1.73555e+06    3.47684e+05   -1.38787e+06   -4.81335e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12033e+02   -2.12304e+02   -5.76540e+01    3.55068e-06

           Step           Time
      226370000   452740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57681e+03    1.80496e+04    1.22279e+04    1.04352e+03   -2.70789e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50540e+03    1.03998e+05    2.81018e+05   -1.72253e+04   -2.15916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17595e+04   -1.73891e+06    3.46417e+05   -1.39250e+06   -4.81406e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10896e+02   -2.12881e+02   -2.08709e+01    3.33269e-06

           Step           Time
      226375000   452750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32989e+03    1.80151e+04    1.24557e+04    1.10707e+03   -2.91459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55940e+03    1.04257e+05    2.78968e+05   -1.72084e+04   -2.15088e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19225e+04   -1.73238e+06    3.45360e+05   -1.38702e+06   -4.81290e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09948e+02   -2.12463e+02   -6.29327e+00    3.61212e-06

           Step           Time
      226380000   452760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79684e+03    1.83136e+04    1.22788e+04    1.05201e+03   -2.82967e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52614e+03    1.03871e+05    2.82054e+05   -1.71901e+04   -2.15564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20775e+04   -1.73369e+06    3.46627e+05   -1.38706e+06   -4.80594e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11084e+02   -2.12012e+02   -6.14243e+00    3.37294e-06

           Step           Time
      226385000   452770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65323e+03    1.82715e+04    1.23590e+04    1.06364e+03   -2.82484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54858e+03    1.03725e+05    2.82108e+05   -1.71347e+04   -2.15471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18793e+04   -1.73306e+06    3.47356e+05   -1.38570e+06   -4.80901e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11739e+02   -2.10649e+02   -2.14940e+01    3.54562e-06

           Step           Time
      226390000   452780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51973e+03    1.82619e+04    1.24443e+04    1.19020e+03   -2.83664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66340e+03    1.04065e+05    2.78256e+05   -1.71680e+04   -2.15193e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21358e+04   -1.73340e+06    3.47325e+05   -1.38608e+06   -4.80436e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11711e+02   -2.11467e+02   -6.17645e+01    3.42239e-06

           Step           Time
      226395000   452790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42836e+03    1.84128e+04    1.25512e+04    1.12295e+03   -2.84269e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55621e+03    1.04017e+05    2.78542e+05   -1.71495e+04   -2.15076e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21119e+04   -1.73201e+06    3.46862e+05   -1.38514e+06   -4.80371e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11296e+02   -2.11012e+02   -2.16732e+01    3.61898e-06

           Step           Time
      226400000   452800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61009e+03    1.80333e+04    1.23420e+04    1.07054e+03   -2.90020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60219e+03    1.04013e+05    2.83185e+05   -1.71967e+04   -2.15914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19447e+04   -1.73644e+06    3.46396e+05   -1.39004e+06   -4.79549e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10877e+02   -2.12173e+02    1.33382e+02    3.54226e-06

           Step           Time
      226405000   452810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36303e+03    1.80851e+04    1.23435e+04    1.07621e+03   -2.82884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67110e+03    1.03947e+05    2.78444e+05   -1.71497e+04   -2.15195e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19736e+04   -1.73403e+06    3.45833e+05   -1.38819e+06   -4.79320e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10372e+02   -2.11018e+02   -5.44011e+01    3.40999e-06

           Step           Time
      226410000   452820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36163e+03    1.79818e+04    1.23917e+04    1.06585e+03   -2.76884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49748e+03    1.04222e+05    2.82841e+05   -1.72087e+04   -2.15701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19661e+04   -1.73466e+06    3.47356e+05   -1.38730e+06   -4.79359e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11738e+02   -2.12470e+02    1.39348e+02    3.63407e-06

           Step           Time
      226415000   452830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46764e+03    1.82182e+04    1.23240e+04    1.02353e+03   -2.98634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46363e+03    1.03812e+05    2.83155e+05   -1.71604e+04   -2.16099e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19062e+04   -1.73877e+06    3.46022e+05   -1.39274e+06   -4.78892e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10542e+02   -2.11280e+02   -2.46142e+01    3.58125e-06

           Step           Time
      226420000   452840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33639e+03    1.82154e+04    1.23889e+04    1.12937e+03   -2.85695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34478e+03    1.04038e+05    2.80496e+05   -1.71656e+04   -2.15267e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21305e+04   -1.73261e+06    3.47272e+05   -1.38534e+06   -4.78536e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11663e+02   -2.11407e+02   -3.64435e+01    3.49088e-06

           Step           Time
      226425000   452850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47263e+03    1.80840e+04    1.23868e+04    1.07869e+03   -3.01595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42092e+03    1.04102e+05    2.81665e+05   -1.71776e+04   -2.15642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22567e+04   -1.73515e+06    3.44501e+05   -1.39064e+06   -4.78001e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09176e+02   -2.11702e+02   -1.92815e+01    3.52292e-06

           Step           Time
      226430000   452860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44996e+03    1.82477e+04    1.25753e+04    1.12937e+03   -2.89657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61576e+03    1.04039e+05    2.81117e+05   -1.72202e+04   -2.15593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20046e+04   -1.73487e+06    3.46150e+05   -1.38872e+06   -4.77724e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10656e+02   -2.12753e+02    5.71499e+01    3.50538e-06

           Step           Time
      226435000   452870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50349e+03    1.81838e+04    1.23136e+04    1.06526e+03   -2.89656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43971e+03    1.03766e+05    2.80580e+05   -1.71657e+04   -2.15465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20351e+04   -1.73482e+06    3.47416e+05   -1.38741e+06   -4.77820e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11792e+02   -2.11411e+02   -3.75342e+01    3.51276e-06

           Step           Time
      226440000   452880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89530e+03    1.83596e+04    1.23190e+04    1.03133e+03   -2.72698e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46257e+03    1.03492e+05    2.79430e+05   -1.72221e+04   -2.15527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20880e+04   -1.73615e+06    3.46544e+05   -1.38960e+06   -4.76899e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11010e+02   -2.12800e+02   -8.01231e+01    3.47388e-06

           Step           Time
      226445000   452890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53897e+03    1.85883e+04    1.24857e+04    1.09733e+03   -2.93454e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61372e+03    1.03820e+05    2.76959e+05   -1.71516e+04   -2.14778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21049e+04   -1.73066e+06    3.47781e+05   -1.38287e+06   -4.76664e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12120e+02   -2.11065e+02   -1.00728e+02    3.71114e-06

           Step           Time
      226450000   452900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54775e+03    1.80014e+04    1.25496e+04    1.15179e+03   -2.92439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53542e+03    1.04692e+05    2.80605e+05   -1.71922e+04   -2.15540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20388e+04   -1.73440e+06    3.46647e+05   -1.38775e+06   -4.76022e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11102e+02   -2.12064e+02    4.84632e+00    3.57979e-06

           Step           Time
      226455000   452910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56588e+03    1.82518e+04    1.25769e+04    1.12608e+03   -2.92987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44430e+03    1.03819e+05    2.81832e+05   -1.72073e+04   -2.15596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20069e+04   -1.73447e+06    3.48355e+05   -1.38612e+06   -4.76274e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12635e+02   -2.12436e+02    5.57575e+01    3.67865e-06

           Step           Time
      226460000   452920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61173e+03    1.83572e+04    1.22263e+04    1.06928e+03   -2.85797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37112e+03    1.03664e+05    2.83440e+05   -1.72096e+04   -2.15969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18677e+04   -1.73715e+06    3.44559e+05   -1.39259e+06   -4.75312e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09228e+02   -2.12493e+02    5.69235e+01    3.56930e-06

           Step           Time
      226465000   452930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67946e+03    1.79349e+04    1.24596e+04    1.02805e+03   -2.84767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43355e+03    1.04224e+05    2.79766e+05   -1.72076e+04   -2.15518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20398e+04   -1.73567e+06    3.46054e+05   -1.38962e+06   -4.75525e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10570e+02   -2.12443e+02   -6.84457e+01    3.66462e-06

           Step           Time
      226470000   452940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53843e+03    1.79954e+04    1.22798e+04    1.17841e+03   -2.86496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45523e+03    1.04337e+05    2.80821e+05   -1.71973e+04   -2.15425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17969e+04   -1.73391e+06    3.46480e+05   -1.38743e+06   -4.75216e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10953e+02   -2.12188e+02    1.38746e+01    3.56163e-06

           Step           Time
      226475000   452950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36051e+03    1.79981e+04    1.23288e+04    1.18656e+03   -2.85676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47023e+03    1.04130e+05    2.78757e+05   -1.71514e+04   -2.15211e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18673e+04   -1.73402e+06    3.45488e+05   -1.38853e+06   -4.74715e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10062e+02   -2.11059e+02   -1.31817e+02    3.46020e-06

           Step           Time
      226480000   452960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48771e+03    1.81818e+04    1.24512e+04    1.12657e+03   -2.91404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56577e+03    1.04538e+05    2.82216e+05   -1.71650e+04   -2.15915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20439e+04   -1.73662e+06    3.47560e+05   -1.38906e+06   -4.74286e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11922e+02   -2.11393e+02    2.79339e+00    3.59400e-06

           Step           Time
      226485000   452970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59838e+03    1.82006e+04    1.23530e+04    1.04808e+03   -2.87554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33429e+03    1.03697e+05    2.79858e+05   -1.71908e+04   -2.15336e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19244e+04   -1.73441e+06    3.45617e+05   -1.38879e+06   -4.74079e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10178e+02   -2.12030e+02   -1.38849e+02    3.38501e-06

           Step           Time
      226490000   452980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38574e+03    1.84335e+04    1.24729e+04    1.09373e+03   -2.91336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59504e+03    1.04003e+05    2.83195e+05   -1.72476e+04   -2.16090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18161e+04   -1.73806e+06    3.46400e+05   -1.39166e+06   -4.73329e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10881e+02   -2.13430e+02    2.07917e+02    3.54463e-06

           Step           Time
      226495000   452990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51290e+03    1.81666e+04    1.24475e+04    9.97654e+02   -2.76827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56950e+03    1.03854e+05    2.81085e+05   -1.71643e+04   -2.15516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20826e+04   -1.73438e+06    3.44630e+05   -1.38975e+06   -4.72881e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09292e+02   -2.11377e+02   -1.98952e+01    3.55314e-06

           Step           Time
      226500000   453000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51836e+03    1.81265e+04    1.23873e+04    1.13601e+03   -2.79417e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43668e+03    1.03896e+05    2.83201e+05   -1.72256e+04   -2.15966e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20194e+04   -1.73696e+06    3.44909e+05   -1.39205e+06   -4.72966e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09542e+02   -2.12887e+02    1.50853e+02    3.59974e-06

           Step           Time
      226505000   453010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62768e+03    1.82718e+04    1.24298e+04    1.13701e+03   -2.91246e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53437e+03    1.03423e+05    2.83515e+05   -1.71805e+04   -2.15854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19842e+04   -1.73571e+06    3.46980e+05   -1.38873e+06   -4.72936e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11401e+02   -2.11775e+02    1.00866e+02    3.58531e-06

           Step           Time
      226510000   453020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56446e+03    1.83653e+04    1.23250e+04    1.01122e+03   -2.90075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54481e+03    1.03884e+05    2.81962e+05   -1.71766e+04   -2.15717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21512e+04   -1.73544e+06    3.45440e+05   -1.39000e+06   -4.72341e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10019e+02   -2.11679e+02   -3.98358e+00    3.35960e-06

           Step           Time
      226515000   453030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57836e+03    1.78362e+04    1.24903e+04    1.11677e+03   -2.93118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43318e+03    1.04172e+05    2.81075e+05   -1.72072e+04   -2.15525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20958e+04   -1.73459e+06    3.45551e+05   -1.38904e+06   -4.72290e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10119e+02   -2.12432e+02    1.43641e+01    3.60977e-06

           Step           Time
      226520000   453040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23154e+03    1.84116e+04    1.24589e+04    1.23114e+03   -2.88983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60009e+03    1.04009e+05    2.80350e+05   -1.71965e+04   -2.15549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17780e+04   -1.73550e+06    3.47186e+05   -1.38832e+06   -4.71781e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11586e+02   -2.12169e+02    5.89338e+01    3.47718e-06

           Step           Time
      226525000   453050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45540e+03    1.79654e+04    1.24177e+04    1.06553e+03   -2.79179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54028e+03    1.04189e+05    2.79408e+05   -1.71972e+04   -2.15328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20318e+04   -1.73420e+06    3.46644e+05   -1.38756e+06   -4.71860e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11099e+02   -2.12186e+02    1.83001e+01    3.59526e-06

           Step           Time
      226530000   453060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46352e+03    1.79911e+04    1.24483e+04    1.06819e+03   -2.89840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51710e+03    1.03400e+05    2.79561e+05   -1.71868e+04   -2.15583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20636e+04   -1.73740e+06    3.46033e+05   -1.39137e+06   -4.71368e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10551e+02   -2.11930e+02   -1.05100e+02    3.59192e-06

           Step           Time
      226535000   453070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68738e+03    1.78281e+04    1.23214e+04    9.67948e+02   -2.89725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50701e+03    1.03435e+05    2.80686e+05   -1.71975e+04   -2.15590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20284e+04   -1.73653e+06    3.44836e+05   -1.39169e+06   -4.71209e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09477e+02   -2.12195e+02   -5.84671e+01    3.56358e-06

           Step           Time
      226540000   453080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68925e+03    1.85372e+04    1.23606e+04    1.06864e+03   -2.91135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41697e+03    1.03073e+05    2.79522e+05   -1.72176e+04   -2.15238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20402e+04   -1.73381e+06    3.47179e+05   -1.38663e+06   -4.70746e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11579e+02   -2.12689e+02   -2.66432e+01    3.59203e-06

           Step           Time
      226545000   453090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64681e+03    1.82781e+04    1.23156e+04    1.00381e+03   -2.94783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59974e+03    1.03657e+05    2.79273e+05   -1.72237e+04   -2.15393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18678e+04   -1.73546e+06    3.46343e+05   -1.38912e+06   -4.70344e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10829e+02   -2.12840e+02   -6.34428e+01    3.66691e-06

           Step           Time
      226550000   453100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47140e+03    1.81375e+04    1.24688e+04    1.03412e+03   -2.97068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53328e+03    1.03512e+05    2.79246e+05   -1.72202e+04   -2.15552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20200e+04   -1.73728e+06    3.45468e+05   -1.39182e+06   -4.70145e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10044e+02   -2.12754e+02   -1.02421e+02    3.48260e-06

           Step           Time
      226555000   453110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58196e+03    1.83418e+04    1.24350e+04    1.11261e+03   -2.85069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55147e+03    1.03526e+05    2.80386e+05   -1.71702e+04   -2.15344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19118e+04   -1.73361e+06    3.45906e+05   -1.38771e+06   -4.70002e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10437e+02   -2.11522e+02   -4.72208e+01    3.52861e-06

           Step           Time
      226560000   453120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38599e+03    1.83883e+04    1.24165e+04    1.10798e+03   -2.81301e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58012e+03    1.03552e+05    2.82337e+05   -1.71809e+04   -2.15573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21806e+04   -1.73378e+06    3.47575e+05   -1.38620e+06   -4.69620e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11935e+02   -2.11785e+02    1.24872e+02    3.55412e-06

           Step           Time
      226565000   453130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59522e+03    1.81066e+04    1.23914e+04    1.02449e+03   -2.92342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37829e+03    1.03724e+05    2.81914e+05   -1.71887e+04   -2.15688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20790e+04   -1.73578e+06    3.45044e+05   -1.39074e+06   -4.69309e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09663e+02   -2.11976e+02   -1.01521e+00    3.49781e-06

           Step           Time
      226570000   453140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72557e+03    1.83535e+04    1.22952e+04    1.07176e+03   -2.71262e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53411e+03    1.03500e+05    2.82019e+05   -1.72172e+04   -2.15670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19193e+04   -1.73521e+06    3.45823e+05   -1.38939e+06   -4.68705e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10363e+02   -2.12679e+02    8.71080e+01    3.65928e-06

           Step           Time
      226575000   453150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77139e+03    1.84038e+04    1.21912e+04    1.09167e+03   -2.82148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48683e+03    1.03101e+05    2.78161e+05   -1.71544e+04   -2.15329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18276e+04   -1.73623e+06    3.47596e+05   -1.38863e+06   -4.69036e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11954e+02   -2.11132e+02   -1.47373e+02    3.58191e-06

           Step           Time
      226580000   453160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57118e+03    1.81333e+04    1.23541e+04    1.06555e+03   -2.80438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45989e+03    1.03553e+05    2.80879e+05   -1.71353e+04   -2.15607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21503e+04   -1.73585e+06    3.46208e+05   -1.38964e+06   -4.68419e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10708e+02   -2.10663e+02   -3.63686e+01    3.56082e-06

           Step           Time
      226585000   453170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55118e+03    1.83030e+04    1.25758e+04    1.04232e+03   -2.88107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57199e+03    1.03027e+05    2.80871e+05   -1.72088e+04   -2.15631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19747e+04   -1.73649e+06    3.47248e+05   -1.38924e+06   -4.68098e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11642e+02   -2.12471e+02    6.75011e+01    3.66314e-06

           Step           Time
      226590000   453180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62482e+03    1.82943e+04    1.23385e+04    1.00878e+03   -2.85691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53703e+03    1.03666e+05    2.82670e+05   -1.71704e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18796e+04   -1.73507e+06    3.46976e+05   -1.38809e+06   -4.68040e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11397e+02   -2.11527e+02    9.69803e+01    3.60632e-06

           Step           Time
      226595000   453190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45652e+03    1.81976e+04    1.24131e+04    1.05680e+03   -2.88084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60229e+03    1.03600e+05    2.79967e+05   -1.71844e+04   -2.15402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22103e+04   -1.73458e+06    3.48141e+05   -1.38644e+06   -4.68081e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12443e+02   -2.11871e+02    1.96624e+01    3.77892e-06

           Step           Time
      226600000   453200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37891e+03    1.81578e+04    1.23415e+04    1.10020e+03   -2.79985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46304e+03    1.03112e+05    2.80630e+05   -1.71626e+04   -2.15486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19150e+04   -1.73573e+06    3.44041e+05   -1.39169e+06   -4.67238e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08763e+02   -2.11335e+02   -6.41473e+01    3.51112e-06

           Step           Time
      226605000   453210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50277e+03    1.80936e+04    1.25080e+04    1.08565e+03   -2.90663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45493e+03    1.03732e+05    2.80730e+05   -1.71901e+04   -2.15546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18965e+04   -1.73555e+06    3.45407e+05   -1.39014e+06   -4.67125e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09989e+02   -2.12011e+02   -4.84908e+01    3.79997e-06

           Step           Time
      226610000   453220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41122e+03    1.87881e+04    1.24510e+04    1.12550e+03   -2.91121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47051e+03    1.03371e+05    2.77827e+05   -1.71453e+04   -2.14831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22520e+04   -1.73067e+06    3.46558e+05   -1.38411e+06   -4.67040e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11022e+02   -2.10910e+02   -3.86263e+01    3.68802e-06

           Step           Time
      226615000   453230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47902e+03    1.81968e+04    1.25246e+04    1.02398e+03   -2.79683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66476e+03    1.03576e+05    2.79353e+05   -1.71753e+04   -2.15144e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20301e+04   -1.73256e+06    3.46485e+05   -1.38608e+06   -4.66458e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10956e+02   -2.11646e+02   -3.76911e+01    3.69553e-06

           Step           Time
      226620000   453240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54008e+03    1.82788e+04    1.24453e+04    1.09358e+03   -2.79126e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60021e+03    1.04231e+05    2.79403e+05   -1.71708e+04   -2.15209e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19762e+04   -1.73249e+06    3.46309e+05   -1.38618e+06   -4.66189e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10798e+02   -2.11536e+02    2.30445e+01    3.59282e-06

           Step           Time
      226625000   453250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77582e+03    1.80985e+04    1.23865e+04    1.01946e+03   -2.81303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54186e+03    1.03772e+05    2.79932e+05   -1.71670e+04   -2.15462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19918e+04   -1.73508e+06    3.46995e+05   -1.38809e+06   -4.66024e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11414e+02   -2.11441e+02   -9.48215e+01    3.50315e-06

           Step           Time
      226630000   453260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37552e+03    1.80982e+04    1.22991e+04    1.06787e+03   -2.82258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51475e+03    1.03534e+05    2.81351e+05   -1.71732e+04   -2.15752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18595e+04   -1.73741e+06    3.44983e+05   -1.39243e+06   -4.65830e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09609e+02   -2.11595e+02    1.91827e+01    3.52293e-06

           Step           Time
      226635000   453270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47532e+03    1.82148e+04    1.24927e+04    1.10965e+03   -2.89915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46785e+03    1.03417e+05    2.81903e+05   -1.72218e+04   -2.15699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19558e+04   -1.73607e+06    3.46724e+05   -1.38935e+06   -4.65838e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11171e+02   -2.12792e+02    6.08281e+01    3.53348e-06

           Step           Time
      226640000   453280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48078e+03    1.79053e+04    1.24698e+04    1.03525e+03   -2.88617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51880e+03    1.03822e+05    2.81279e+05   -1.72193e+04   -2.15667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19687e+04   -1.73629e+06    3.45086e+05   -1.39120e+06   -4.65524e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09701e+02   -2.12732e+02   -1.47393e+01    3.47599e-06

           Step           Time
      226645000   453290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57313e+03    1.80173e+04    1.24018e+04    1.10399e+03   -2.97955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58469e+03    1.04027e+05    2.81976e+05   -1.71952e+04   -2.15578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18142e+04   -1.73445e+06    3.46143e+05   -1.38831e+06   -4.65239e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10650e+02   -2.12137e+02    9.73770e+01    3.69973e-06

           Step           Time
      226650000   453300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64542e+03    1.86541e+04    1.24298e+04    1.07935e+03   -2.89972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47802e+03    1.03539e+05    2.79336e+05   -1.71686e+04   -2.15315e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21180e+04   -1.73394e+06    3.46790e+05   -1.38715e+06   -4.64979e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11230e+02   -2.11483e+02   -8.26840e+01    3.51399e-06

           Step           Time
      226655000   453310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39672e+03    1.84487e+04    1.24185e+04    1.01603e+03   -2.81377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47497e+03    1.03917e+05    2.80275e+05   -1.71858e+04   -2.15406e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17824e+04   -1.73433e+06    3.47970e+05   -1.38636e+06   -4.65146e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12290e+02   -2.11906e+02   -4.39656e+01    3.62586e-06

           Step           Time
      226660000   453320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65659e+03    1.81612e+04    1.24140e+04    1.03864e+03   -2.97142e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62534e+03    1.03599e+05    2.80363e+05   -1.72124e+04   -2.15443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19797e+04   -1.73477e+06    3.46315e+05   -1.38846e+06   -4.64525e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10804e+02   -2.12561e+02   -1.67129e+00    3.54805e-06

           Step           Time
      226665000   453330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54132e+03    1.81332e+04    1.25022e+04    1.15517e+03   -2.91499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54427e+03    1.03719e+05    2.80440e+05   -1.71763e+04   -2.15382e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21120e+04   -1.73376e+06    3.44084e+05   -1.38968e+06   -4.64485e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08802e+02   -2.11671e+02   -4.97887e+01    3.58918e-06

           Step           Time
      226670000   453340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58700e+03    1.81955e+04    1.23621e+04    1.06537e+03   -2.86789e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61196e+03    1.04221e+05    2.82296e+05   -1.71863e+04   -2.15664e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19642e+04   -1.73439e+06    3.46996e+05   -1.38739e+06   -4.63880e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11415e+02   -2.11917e+02    6.18376e+01    3.52423e-06

           Step           Time
      226675000   453350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49296e+03    1.82671e+04    1.25507e+04    1.09133e+03   -2.95744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60299e+03    1.03528e+05    2.80652e+05   -1.71984e+04   -2.15590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20305e+04   -1.73584e+06    3.47344e+05   -1.38850e+06   -4.63702e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11728e+02   -2.12216e+02   -3.32481e+01    3.79990e-06

           Step           Time
      226680000   453360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73539e+03    1.83214e+04    1.23043e+04    1.04162e+03   -2.83653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49358e+03    1.03856e+05    2.80057e+05   -1.72239e+04   -2.15273e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19709e+04   -1.73301e+06    3.47326e+05   -1.38569e+06   -4.63022e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11712e+02   -2.12845e+02    3.17510e+01    3.49803e-06

           Step           Time
      226685000   453370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25856e+03    1.84188e+04    1.25270e+04    1.16046e+03   -2.89799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51485e+03    1.03853e+05    2.78601e+05   -1.72191e+04   -2.15305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20580e+04   -1.73477e+06    3.47296e+05   -1.38748e+06   -4.63104e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11684e+02   -2.12727e+02   -4.27948e+01    3.68032e-06

           Step           Time
      226690000   453380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39742e+03    1.81376e+04    1.22175e+04    1.08584e+03   -2.80975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52412e+03    1.03476e+05    2.79407e+05   -1.72386e+04   -2.15475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18875e+04   -1.73667e+06    3.45920e+05   -1.39075e+06   -4.63155e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10449e+02   -2.13209e+02    1.72563e+01    3.55055e-06

           Step           Time
      226695000   453390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32369e+03    1.85090e+04    1.22748e+04    1.06597e+03   -2.99784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54891e+03    1.03584e+05    2.80603e+05   -1.71843e+04   -2.15677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18790e+04   -1.73717e+06    3.45489e+05   -1.39168e+06   -4.62681e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10063e+02   -2.11867e+02   -1.10539e+01    3.57938e-06

           Step           Time
      226700000   453400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69535e+03    1.83922e+04    1.25047e+04    1.08496e+03   -2.91729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50039e+03    1.03523e+05    2.80058e+05   -1.72031e+04   -2.15442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19183e+04   -1.73487e+06    3.47866e+05   -1.38700e+06   -4.62646e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12196e+02   -2.12333e+02   -3.39196e+01    3.68890e-06

           Step           Time
      226705000   453410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47935e+03    1.82516e+04    1.25670e+04    1.03117e+03   -2.96108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50429e+03    1.03775e+05    2.81456e+05   -1.71888e+04   -2.15769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20468e+04   -1.73673e+06    3.46737e+05   -1.38999e+06   -4.61956e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11183e+02   -2.11980e+02   -1.26518e+01    3.44304e-06

           Step           Time
      226710000   453420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36970e+03    1.77605e+04    1.24122e+04    1.07763e+03   -2.91359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62696e+03    1.03673e+05    2.79168e+05   -1.71742e+04   -2.15482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19567e+04   -1.73686e+06    3.45695e+05   -1.39117e+06   -4.62098e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10247e+02   -2.11620e+02   -6.28853e+01    3.50803e-06

           Step           Time
      226715000   453430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49689e+03    1.80020e+04    1.24040e+04    1.16075e+03   -2.99657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49194e+03    1.03719e+05    2.81405e+05   -1.71919e+04   -2.15542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19435e+04   -1.73498e+06    3.44344e+05   -1.39064e+06   -4.61255e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09035e+02   -2.12055e+02   -3.44643e+01    3.67435e-06

           Step           Time
      226720000   453440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56842e+03    1.80356e+04    1.23533e+04    1.06786e+03   -2.87410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49630e+03    1.03887e+05    2.81314e+05   -1.72432e+04   -2.15592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18102e+04   -1.73551e+06    3.47344e+05   -1.38816e+06   -4.61791e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11727e+02   -2.13322e+02    9.66460e+01    3.66428e-06

           Step           Time
      226725000   453450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45479e+03    1.80031e+04    1.23144e+04    1.01773e+03   -2.86040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68803e+03    1.04068e+05    2.83165e+05   -1.72450e+04   -2.16078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18989e+04   -1.73827e+06    3.46466e+05   -1.39181e+06   -4.61165e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10940e+02   -2.13366e+02    1.21535e+02    3.52026e-06

           Step           Time
      226730000   453460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42651e+03    1.84023e+04    1.24492e+04    1.11556e+03   -2.91603e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65839e+03    1.03900e+05    2.78293e+05   -1.71976e+04   -2.15110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18516e+04   -1.73312e+06    3.48556e+05   -1.38456e+06   -4.60942e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12815e+02   -2.12195e+02   -2.38470e+01    3.66578e-06

           Step           Time
      226735000   453470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63931e+03    1.82379e+04    1.23852e+04    1.00830e+03   -2.94078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54592e+03    1.03393e+05    2.81264e+05   -1.71613e+04   -2.15626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19811e+04   -1.73591e+06    3.46547e+05   -1.38936e+06   -4.60672e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11012e+02   -2.11303e+02   -2.91834e+01    3.68108e-06

           Step           Time
      226740000   453480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71850e+03    1.82845e+04    1.24146e+04    1.02886e+03   -2.86094e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52859e+03    1.03428e+05    2.78409e+05   -1.71959e+04   -2.15258e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19122e+04   -1.73491e+06    3.48114e+05   -1.38679e+06   -4.60745e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12418e+02   -2.12155e+02   -1.06278e+02    3.60327e-06

           Step           Time
      226745000   453490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49996e+03    1.79834e+04    1.23170e+04    1.05100e+03   -2.85863e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63815e+03    1.03497e+05    2.80964e+05   -1.71927e+04   -2.15673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19486e+04   -1.73688e+06    3.45941e+05   -1.39094e+06   -4.60384e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10468e+02   -2.12076e+02    7.88042e+00    3.53599e-06

           Step           Time
      226750000   453500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40234e+03    1.82357e+04    1.22596e+04    1.15924e+03   -2.82075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52531e+03    1.03755e+05    2.81210e+05   -1.72000e+04   -2.15522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18565e+04   -1.73484e+06    3.44882e+05   -1.38996e+06   -4.59952e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09518e+02   -2.12255e+02    3.40583e+01    3.53181e-06

           Step           Time
      226755000   453510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38876e+03    1.79607e+04    1.24687e+04    1.04320e+03   -2.89588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70959e+03    1.03795e+05    2.79351e+05   -1.71915e+04   -2.15287e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20449e+04   -1.73420e+06    3.46308e+05   -1.38789e+06   -4.59970e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10798e+02   -2.12045e+02   -8.86751e+00    3.75019e-06

           Step           Time
      226760000   453520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47731e+03    1.80608e+04    1.24068e+04    1.07676e+03   -2.88337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51652e+03    1.03485e+05    2.79774e+05   -1.72329e+04   -2.15401e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20046e+04   -1.73532e+06    3.45701e+05   -1.38962e+06   -4.59591e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10253e+02   -2.13068e+02    6.35942e+01    3.52639e-06

           Step           Time
      226765000   453530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44215e+03    1.77155e+04    1.25717e+04    1.00818e+03   -2.94092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54410e+03    1.03367e+05    2.80978e+05   -1.71648e+04   -2.15531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19361e+04   -1.73586e+06    3.46801e+05   -1.38905e+06   -4.59915e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11241e+02   -2.11388e+02   -5.03342e+01    3.63753e-06

           Step           Time
      226770000   453540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71232e+03    1.80536e+04    1.25908e+04    1.07826e+03   -2.87027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54482e+03    1.03665e+05    2.80000e+05   -1.72164e+04   -2.15535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18697e+04   -1.73592e+06    3.46969e+05   -1.38895e+06   -4.59354e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11391e+02   -2.12659e+02   -4.43870e+01    3.79498e-06

           Step           Time
      226775000   453550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51404e+03    1.82218e+04    1.25294e+04    1.05902e+03   -2.92345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51929e+03    1.03252e+05    2.79261e+05   -1.71845e+04   -2.15306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19785e+04   -1.73484e+06    3.47340e+05   -1.38750e+06   -4.58900e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11724e+02   -2.11873e+02   -1.19036e+02    3.63817e-06

           Step           Time
      226780000   453560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48324e+03    1.80658e+04    1.23824e+04    1.12101e+03   -2.80092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48437e+03    1.03781e+05    2.79551e+05   -1.71864e+04   -2.15364e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20099e+04   -1.73475e+06    3.46768e+05   -1.38798e+06   -4.58920e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11210e+02   -2.11921e+02   -4.16049e+01    3.50019e-06

           Step           Time
      226785000   453570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74918e+03    1.81491e+04    1.23822e+04    1.16485e+03   -2.88231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46462e+03    1.03964e+05    2.81782e+05   -1.71660e+04   -2.15560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18988e+04   -1.73409e+06    3.46376e+05   -1.38772e+06   -4.57728e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10859e+02   -2.11418e+02    1.53729e+01    3.64621e-06

           Step           Time
      226790000   453580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45142e+03    1.83227e+04    1.24630e+04    1.01904e+03   -2.84804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42898e+03    1.03743e+05    2.81724e+05   -1.71833e+04   -2.15860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19382e+04   -1.73754e+06    3.47739e+05   -1.38980e+06   -4.58395e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12083e+02   -2.11844e+02    5.06038e+00    3.75643e-06

           Step           Time
      226795000   453590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53970e+03    1.82188e+04    1.23971e+04    1.07168e+03   -2.84558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60208e+03    1.03603e+05    2.79894e+05   -1.71768e+04   -2.15307e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19214e+04   -1.73384e+06    3.47128e+05   -1.38671e+06   -4.57390e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11534e+02   -2.11684e+02   -4.50797e+01    3.56009e-06

           Step           Time
      226800000   453600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56314e+03    1.78845e+04    1.23924e+04    1.05399e+03   -2.85241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41149e+03    1.03795e+05    2.83348e+05   -1.72299e+04   -2.15883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17828e+04   -1.73668e+06    3.46348e+05   -1.39033e+06   -4.57475e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10834e+02   -2.12993e+02    1.04259e+02    3.67963e-06

           Step           Time
      226805000   453610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61177e+03    1.81158e+04    1.23507e+04    9.75068e+02   -2.86505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48064e+03    1.03733e+05    2.80757e+05   -1.71901e+04   -2.15446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19387e+04   -1.73455e+06    3.45616e+05   -1.38893e+06   -4.56556e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10177e+02   -2.12011e+02   -1.97844e+01    3.69220e-06

           Step           Time
      226810000   453620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36275e+03    1.86887e+04    1.25234e+04    1.14096e+03   -2.89512e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43129e+03    1.03808e+05    2.79975e+05   -1.71953e+04   -2.15487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20957e+04   -1.73494e+06    3.45553e+05   -1.38939e+06   -4.56252e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10120e+02   -2.12140e+02   -6.37602e+00    3.55217e-06

           Step           Time
      226815000   453630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28868e+03    1.82413e+04    1.25582e+04    1.09129e+03   -2.88792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60466e+03    1.04100e+05    2.80210e+05   -1.72376e+04   -2.15607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19830e+04   -1.73612e+06    3.48878e+05   -1.38724e+06   -4.56591e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13105e+02   -2.13182e+02    6.10265e+01    3.64162e-06

           Step           Time
      226820000   453640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50841e+03    1.80444e+04    1.23576e+04    1.11930e+03   -2.83443e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46761e+03    1.03765e+05    2.79753e+05   -1.71783e+04   -2.15237e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18380e+04   -1.73352e+06    3.44043e+05   -1.38948e+06   -4.55989e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08765e+02   -2.11720e+02   -5.77162e+01    3.56978e-06

           Step           Time
      226825000   453650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45409e+03    1.79737e+04    1.23419e+04    9.59966e+02   -2.86412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53882e+03    1.03769e+05    2.79551e+05   -1.71751e+04   -2.15532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19377e+04   -1.73683e+06    3.47232e+05   -1.38960e+06   -4.56080e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11628e+02   -2.11641e+02   -4.80120e+01    3.62106e-06

           Step           Time
      226830000   453660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66565e+03    1.84478e+04    1.22790e+04    1.05104e+03   -2.84221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48838e+03    1.03523e+05    2.80236e+05   -1.71799e+04   -2.15373e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19974e+04   -1.73407e+06    3.45584e+05   -1.38848e+06   -4.54805e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10148e+02   -2.11761e+02    1.72393e+01    3.71932e-06

           Step           Time
      226835000   453670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33919e+03    1.78725e+04    1.24763e+04    1.11151e+03   -2.85417e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67222e+03    1.03964e+05    2.82760e+05   -1.71860e+04   -2.15904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18299e+04   -1.73705e+06    3.47352e+05   -1.38970e+06   -4.55248e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11735e+02   -2.11911e+02    9.52370e+01    3.59075e-06

           Step           Time
      226840000   453680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46016e+03    1.85237e+04    1.23130e+04    1.11746e+03   -2.85001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41306e+03    1.03806e+05    2.80286e+05   -1.71252e+04   -2.15398e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22321e+04   -1.73381e+06    3.46517e+05   -1.38729e+06   -4.54648e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10986e+02   -2.10415e+02   -8.95142e+01    3.53371e-06

           Step           Time
      226845000   453690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45691e+03    1.82814e+04    1.22389e+04    1.10816e+03   -2.85821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45217e+03    1.04175e+05    2.77054e+05   -1.72158e+04   -2.15177e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18405e+04   -1.73524e+06    3.46723e+05   -1.38851e+06   -4.54784e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11171e+02   -2.12644e+02   -1.13989e+02    3.76576e-06

           Step           Time
      226850000   453700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49728e+03    1.84253e+04    1.24605e+04    1.17405e+03   -2.77417e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54346e+03    1.03604e+05    2.79846e+05   -1.72205e+04   -2.15319e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20842e+04   -1.73355e+06    3.48083e+05   -1.38546e+06   -4.53775e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12391e+02   -2.12760e+02    6.76717e+01    3.43302e-06

           Step           Time
      226855000   453710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49511e+03    1.83527e+04    1.24318e+04    1.08757e+03   -2.97476e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47406e+03    1.03464e+05    2.82449e+05   -1.72253e+04   -2.15505e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19505e+04   -1.73355e+06    3.46634e+05   -1.38691e+06   -4.53579e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11090e+02   -2.12879e+02    1.43447e+02    3.52099e-06

           Step           Time
      226860000   453720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66902e+03    1.82892e+04    1.23345e+04    1.08188e+03   -2.89346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57771e+03    1.03889e+05    2.83898e+05   -1.72045e+04   -2.15924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20253e+04   -1.73557e+06    3.46454e+05   -1.38912e+06   -4.53066e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10929e+02   -2.12367e+02    9.97645e+01    3.50841e-06

           Step           Time
      226865000   453730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69710e+03    1.82067e+04    1.24495e+04    1.06972e+03   -2.97302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46263e+03    1.03862e+05    2.81884e+05   -1.71946e+04   -2.15609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21254e+04   -1.73450e+06    3.47050e+05   -1.38745e+06   -4.52939e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11464e+02   -2.12123e+02    4.02661e+01    3.50135e-06

           Step           Time
      226870000   453740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52226e+03    1.80597e+04    1.22660e+04    1.10801e+03   -2.83291e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53585e+03    1.03587e+05    2.82098e+05   -1.72033e+04   -2.15930e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19642e+04   -1.73820e+06    3.45772e+05   -1.39243e+06   -4.52864e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10317e+02   -2.12337e+02    8.52312e+00    3.51641e-06

           Step           Time
      226875000   453750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47443e+03    1.80227e+04    1.24121e+04    1.06394e+03   -2.84352e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55319e+03    1.03688e+05    2.79828e+05   -1.71280e+04   -2.15235e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18820e+04   -1.73340e+06    3.45678e+05   -1.38772e+06   -4.52421e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10233e+02   -2.10485e+02   -8.77033e+01    3.52845e-06

           Step           Time
      226880000   453760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35779e+03    1.79574e+04    1.22978e+04    1.15096e+03   -2.83293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51094e+03    1.03892e+05    2.81477e+05   -1.72021e+04   -2.15641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20832e+04   -1.73572e+06    3.46891e+05   -1.38883e+06   -4.52619e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11322e+02   -2.12306e+02   -4.28294e+01    3.61491e-06

           Step           Time
      226885000   453770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44958e+03    1.81262e+04    1.23508e+04    1.10156e+03   -2.97635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59400e+03    1.03817e+05    2.81461e+05   -1.71907e+04   -2.15659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19348e+04   -1.73592e+06    3.44926e+05   -1.39099e+06   -4.51889e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09558e+02   -2.12027e+02   -1.38671e+01    3.49958e-06

           Step           Time
      226890000   453780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55956e+03    1.82018e+04    1.24623e+04    1.15938e+03   -2.90615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59212e+03    1.03889e+05    2.79792e+05   -1.71772e+04   -2.15381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20823e+04   -1.73415e+06    3.47969e+05   -1.38618e+06   -4.51712e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12289e+02   -2.11693e+02   -9.35937e+00    3.58691e-06

           Step           Time
      226895000   453790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26133e+03    1.86020e+04    1.23422e+04    1.05734e+03   -2.88836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51701e+03    1.03281e+05    2.82363e+05   -1.71949e+04   -2.15736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20906e+04   -1.73593e+06    3.46201e+05   -1.38973e+06   -4.50954e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10702e+02   -2.12131e+02    1.20536e+02    3.50163e-06

           Step           Time
      226900000   453800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59917e+03    1.85975e+04    1.24509e+04    1.02916e+03   -2.88943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60041e+03    1.03390e+05    2.79839e+05   -1.71933e+04   -2.15135e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20186e+04   -1.73190e+06    3.45894e+05   -1.38601e+06   -4.50881e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10426e+02   -2.12091e+02    6.93561e+00    3.63189e-06

           Step           Time
      226905000   453810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51871e+03    1.84321e+04    1.22251e+04    1.10027e+03   -2.94310e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43217e+03    1.04002e+05    2.79034e+05   -1.71845e+04   -2.15300e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21386e+04   -1.73424e+06    3.46334e+05   -1.38791e+06   -4.50482e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10821e+02   -2.11873e+02   -6.03042e+01    3.41261e-06

           Step           Time
      226910000   453820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58725e+03    1.82727e+04    1.24595e+04    1.04085e+03   -2.89987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54860e+03    1.03356e+05    2.80178e+05   -1.71824e+04   -2.15410e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19211e+04   -1.73482e+06    3.48077e+05   -1.38675e+06   -4.50058e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12385e+02   -2.11821e+02   -2.77526e+01    3.67849e-06

           Step           Time
      226915000   453830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48339e+03    1.80577e+04    1.22857e+04    1.05050e+03   -2.83741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52904e+03    1.03809e+05    2.83629e+05   -1.71542e+04   -2.15639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20254e+04   -1.73351e+06    3.44174e+05   -1.38934e+06   -4.49822e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08883e+02   -2.11128e+02    1.26788e+02    3.51828e-06

           Step           Time
      226920000   453840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56852e+03    1.80115e+04    1.23721e+04    9.84925e+02   -2.91263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41948e+03    1.03760e+05    2.81500e+05   -1.71703e+04   -2.15861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17825e+04   -1.73829e+06    3.46644e+05   -1.39165e+06   -4.49798e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11099e+02   -2.11524e+02   -5.27436e+01    3.57758e-06

           Step           Time
      226925000   453850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54934e+03    1.80455e+04    1.23965e+04    1.10168e+03   -2.86777e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69574e+03    1.03322e+05    2.83436e+05   -1.72216e+04   -2.15707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19775e+04   -1.73463e+06    3.46602e+05   -1.38803e+06   -4.48942e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11062e+02   -2.12789e+02    1.97962e+02    3.44635e-06

           Step           Time
      226930000   453860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69629e+03    1.82963e+04    1.24096e+04    1.16983e+03   -2.86183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46092e+03    1.03371e+05    2.83406e+05   -1.71943e+04   -2.15719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20410e+04   -1.73440e+06    3.48526e+05   -1.38587e+06   -4.48905e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12789e+02   -2.12115e+02    9.62331e+01    3.63021e-06

           Step           Time
      226935000   453870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59646e+03    1.81191e+04    1.24657e+04    1.03824e+03   -2.89137e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51135e+03    1.03663e+05    2.82047e+05   -1.71908e+04   -2.15876e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21978e+04   -1.73721e+06    3.46072e+05   -1.39114e+06   -4.48755e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10586e+02   -2.12029e+02    7.96669e+00    3.56284e-06

           Step           Time
      226940000   453880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40175e+03    1.82246e+04    1.24234e+04    1.20645e+03   -2.99387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51268e+03    1.04170e+05    2.79088e+05   -1.71540e+04   -2.15323e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20624e+04   -1.73428e+06    3.46933e+05   -1.38735e+06   -4.48346e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11359e+02   -2.11122e+02   -2.89385e+01    3.56050e-06

           Step           Time
      226945000   453890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29458e+03    1.88543e+04    1.23188e+04    1.12383e+03   -2.88989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60491e+03    1.03662e+05    2.80180e+05   -1.71753e+04   -2.15368e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21330e+04   -1.73357e+06    3.46969e+05   -1.38661e+06   -4.47869e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11391e+02   -2.11647e+02    5.14436e+01    3.51352e-06

           Step           Time
      226950000   453900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39542e+03    1.79671e+04    1.25357e+04    1.12254e+03   -2.98524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58562e+03    1.03933e+05    2.82947e+05   -1.71957e+04   -2.15711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20166e+04   -1.73479e+06    3.46376e+05   -1.38842e+06   -4.47485e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10859e+02   -2.12148e+02    1.30575e+02    3.53310e-06

           Step           Time
      226955000   453910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43051e+03    1.83780e+04    1.24069e+04    1.10957e+03   -2.96747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50236e+03    1.03733e+05    2.83485e+05   -1.71884e+04   -2.15750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17630e+04   -1.73485e+06    3.44798e+05   -1.39005e+06   -4.47306e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09442e+02   -2.11969e+02    7.82842e+01    3.61438e-06

           Step           Time
      226960000   453920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63150e+03    1.84602e+04    1.23912e+04    1.07187e+03   -3.05116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42001e+03    1.03447e+05    2.79525e+05   -1.71746e+04   -2.15334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18909e+04   -1.73473e+06    3.45350e+05   -1.38938e+06   -4.47030e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09938e+02   -2.11630e+02   -1.21124e+02    3.59596e-06

           Step           Time
      226965000   453930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91605e+03    1.80103e+04    1.24465e+04    1.07539e+03   -2.94109e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47918e+03    1.03672e+05    2.82009e+05   -1.71844e+04   -2.15692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19797e+04   -1.73546e+06    3.45314e+05   -1.39014e+06   -4.46424e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09906e+02   -2.11872e+02   -2.47182e+01    3.61042e-06

           Step           Time
      226970000   453940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52433e+03    1.85148e+04    1.25136e+04    1.06493e+03   -2.92942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53289e+03    1.03449e+05    2.83095e+05   -1.72206e+04   -2.15630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20669e+04   -1.73369e+06    3.47476e+05   -1.38622e+06   -4.46101e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11846e+02   -2.12763e+02    7.11279e+01    3.55937e-06

           Step           Time
      226975000   453950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45789e+03    1.79438e+04    1.24641e+04    1.04292e+03   -2.88496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56335e+03    1.03844e+05    2.79558e+05   -1.71188e+04   -2.15475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21039e+04   -1.73578e+06    3.45651e+05   -1.39013e+06   -4.45926e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10208e+02   -2.10258e+02   -1.65724e+02    3.54669e-06

           Step           Time
      226980000   453960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84786e+03    1.81618e+04    1.25029e+04    1.05387e+03   -2.92391e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50947e+03    1.03716e+05    2.81411e+05   -1.71684e+04   -2.15502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22561e+04   -1.73365e+06    3.45247e+05   -1.38841e+06   -4.45390e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09846e+02   -2.11477e+02    4.51064e+00    3.59897e-06

           Step           Time
      226985000   453970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86298e+03    1.86936e+04    1.25086e+04    1.07250e+03   -2.94834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50402e+03    1.03493e+05    2.80402e+05   -1.71691e+04   -2.15369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21079e+04   -1.73316e+06    3.48496e+05   -1.38466e+06   -4.45426e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12762e+02   -2.11495e+02   -5.46503e+01    3.60407e-06

           Step           Time
      226990000   453980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48139e+03    1.82877e+04    1.23059e+04    1.08884e+03   -2.86509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43432e+03    1.03817e+05    2.79560e+05   -1.72122e+04   -2.15490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17946e+04   -1.73621e+06    3.45919e+05   -1.39029e+06   -4.45292e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10449e+02   -2.12557e+02   -4.58089e+01    3.65395e-06

           Step           Time
      226995000   453990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32741e+03    1.80203e+04    1.25717e+04    1.04417e+03   -2.95033e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63214e+03    1.03977e+05    2.81495e+05   -1.72019e+04   -2.15742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20779e+04   -1.73643e+06    3.47781e+05   -1.38865e+06   -4.44921e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12120e+02   -2.12301e+02    1.96636e+01    3.39646e-06

           Step           Time
      227000000   454000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40429e+03    1.77734e+04    1.24570e+04    1.09562e+03   -3.03155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55747e+03    1.03660e+05    2.79027e+05   -1.72041e+04   -2.15442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20570e+04   -1.73663e+06    3.45529e+05   -1.39110e+06   -4.45026e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10099e+02   -2.12357e+02   -5.85767e+01    3.49601e-06

           Step           Time
      227005000   454010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60450e+03    1.82115e+04    1.24282e+04    1.06644e+03   -2.96663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49260e+03    1.03481e+05    2.80598e+05   -1.71858e+04   -2.15472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19467e+04   -1.73505e+06    3.46589e+05   -1.38846e+06   -4.44465e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11050e+02   -2.11906e+02   -4.28083e-01    3.52923e-06

Writing checkpoint, step 227006400 at Fri Dec  1 20:38:07 2023


           Step           Time
      227010000   454020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70357e+03    1.77977e+04    1.24652e+04    1.13837e+03   -2.95631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40104e+03    1.03915e+05    2.79530e+05   -1.72117e+04   -2.15458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19983e+04   -1.73580e+06    3.45529e+05   -1.39027e+06   -4.44221e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10099e+02   -2.12544e+02   -7.35312e+01    3.56814e-06

           Step           Time
      227015000   454030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58006e+03    1.80342e+04    1.22650e+04    1.03383e+03   -2.86012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57930e+03    1.03723e+05    2.80623e+05   -1.72077e+04   -2.15737e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19615e+04   -1.73763e+06    3.46233e+05   -1.39140e+06   -4.44109e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10731e+02   -2.12446e+02    3.16327e+00    3.44692e-06

           Step           Time
      227020000   454040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55451e+03    1.82744e+04    1.25394e+04    1.04778e+03   -3.01068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44288e+03    1.03771e+05    2.81897e+05   -1.71827e+04   -2.15852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21091e+04   -1.73708e+06    3.47178e+05   -1.38990e+06   -4.43899e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11579e+02   -2.11829e+02   -6.22116e+01    3.45081e-06

           Step           Time
      227025000   454050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55943e+03    1.83936e+04    1.25218e+04    1.09760e+03   -2.95664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49359e+03    1.03838e+05    2.81295e+05   -1.72028e+04   -2.15676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20230e+04   -1.73570e+06    3.46138e+05   -1.38956e+06   -4.43460e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10645e+02   -2.12324e+02    3.38048e+01    3.65288e-06

           Step           Time
      227030000   454060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44739e+03    1.83947e+04    1.22865e+04    1.01252e+03   -2.93459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47614e+03    1.03722e+05    2.81440e+05   -1.71799e+04   -2.15369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19532e+04   -1.73307e+06    3.46965e+05   -1.38611e+06   -4.43242e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11387e+02   -2.11761e+02    1.15560e+02    3.46947e-06

           Step           Time
      227035000   454070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61367e+03    1.82276e+04    1.26025e+04    1.09301e+03   -2.93634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47504e+03    1.04056e+05    2.84446e+05   -1.72037e+04   -2.15873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21220e+04   -1.73424e+06    3.48746e+05   -1.38549e+06   -4.43005e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12986e+02   -2.12347e+02    1.48129e+02    3.50947e-06

           Step           Time
      227040000   454080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39026e+03    1.82776e+04    1.25868e+04    1.12963e+03   -2.94651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48788e+03    1.03783e+05    2.81847e+05   -1.71537e+04   -2.15600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20270e+04   -1.73458e+06    3.45772e+05   -1.38880e+06   -4.42348e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10317e+02   -2.11114e+02    5.65974e+00    3.38496e-06

           Step           Time
      227045000   454090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85292e+03    1.82832e+04    1.23725e+04    1.03676e+03   -2.90660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53729e+03    1.03968e+05    2.78075e+05   -1.71935e+04   -2.15174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19031e+04   -1.73381e+06    3.46278e+05   -1.38754e+06   -4.42145e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10771e+02   -2.12095e+02   -9.85103e+01    3.51127e-06

           Step           Time
      227050000   454100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46454e+03    1.84764e+04    1.25446e+04    1.10606e+03   -2.92408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51363e+03    1.03801e+05    2.77663e+05   -1.72152e+04   -2.14937e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20241e+04   -1.73192e+06    3.47453e+05   -1.38447e+06   -4.41990e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11826e+02   -2.12630e+02   -4.17190e+01    3.60052e-06

           Step           Time
      227055000   454110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59303e+03    1.84689e+04    1.24083e+04    1.13616e+03   -2.90505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48003e+03    1.03802e+05    2.82309e+05   -1.72029e+04   -2.15622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18584e+04   -1.73427e+06    3.48672e+05   -1.38560e+06   -4.41992e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12919e+02   -2.12328e+02    5.71130e+01    3.66756e-06

           Step           Time
      227060000   454120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40541e+03    1.84260e+04    1.23720e+04    1.05578e+03   -2.82081e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42032e+03    1.03439e+05    2.79596e+05   -1.71704e+04   -2.15472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21342e+04   -1.73586e+06    3.47912e+05   -1.38795e+06   -4.41681e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12237e+02   -2.11526e+02   -9.17575e+01    3.58304e-06

           Step           Time
      227065000   454130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76069e+03    1.84134e+04    1.23856e+04    1.12377e+03   -2.88036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47078e+03    1.03486e+05    2.82913e+05   -1.72034e+04   -2.15855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20184e+04   -1.73606e+06    3.44845e+05   -1.39122e+06   -4.40845e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09485e+02   -2.12340e+02    3.57629e+01    3.57442e-06

           Step           Time
      227070000   454140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43528e+03    1.81388e+04    1.24346e+04    1.11980e+03   -2.82788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44040e+03    1.03659e+05    2.81020e+05   -1.72014e+04   -2.15559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21642e+04   -1.73520e+06    3.48503e+05   -1.38670e+06   -4.41165e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12768e+02   -2.12289e+02   -1.65661e+01    3.79433e-06

           Step           Time
      227075000   454150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31594e+03    1.84571e+04    1.22903e+04    1.00375e+03   -2.82179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52108e+03    1.04078e+05    2.77918e+05   -1.71566e+04   -2.15285e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20252e+04   -1.73522e+06    3.46195e+05   -1.38902e+06   -4.40774e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10697e+02   -2.11187e+02   -1.15130e+02    3.46643e-06

           Step           Time
      227080000   454160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38847e+03    1.88049e+04    1.23384e+04    1.09556e+03   -2.91702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47937e+03    1.03704e+05    2.78489e+05   -1.71823e+04   -2.15131e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18714e+04   -1.73324e+06    3.46970e+05   -1.38627e+06   -4.40216e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11392e+02   -2.11818e+02   -5.84462e+01    3.52610e-06

           Step           Time
      227085000   454170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63412e+03    1.86427e+04    1.24495e+04    9.73625e+02   -2.94395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55318e+03    1.03452e+05    2.82505e+05   -1.71782e+04   -2.15528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19735e+04   -1.73322e+06    3.46612e+05   -1.38661e+06   -4.39406e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11071e+02   -2.11719e+02    1.01812e+02    3.39532e-06

           Step           Time
      227090000   454180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42854e+03    1.84790e+04    1.23546e+04    1.12571e+03   -2.92244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46087e+03    1.03185e+05    2.81594e+05   -1.71718e+04   -2.15554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20332e+04   -1.73498e+06    3.45317e+05   -1.38966e+06   -4.39400e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09909e+02   -2.11561e+02    9.88684e+01    3.44558e-06

           Step           Time
      227095000   454190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41476e+03    1.80751e+04    1.24358e+04    1.01564e+03   -2.91038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56308e+03    1.04029e+05    2.77291e+05   -1.71657e+04   -2.15105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18296e+04   -1.73447e+06    3.47435e+05   -1.38704e+06   -4.38930e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11810e+02   -2.11410e+02   -1.29362e+02    3.56114e-06

           Step           Time
      227100000   454200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64452e+03    1.83036e+04    1.25883e+04    1.05060e+03   -2.83825e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60034e+03    1.04162e+05    2.81903e+05   -1.72341e+04   -2.15835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18745e+04   -1.73630e+06    3.47056e+05   -1.38924e+06   -4.38440e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11469e+02   -2.13097e+02    8.21928e+01    3.44352e-06

           Step           Time
      227105000   454210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44990e+03    1.82212e+04    1.25922e+04    1.06218e+03   -2.99900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59836e+03    1.03760e+05    2.81236e+05   -1.72037e+04   -2.15663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19341e+04   -1.73598e+06    3.47842e+05   -1.38813e+06   -4.37976e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12175e+02   -2.12346e+02    2.50709e+01    3.64746e-06

           Step           Time
      227110000   454220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51697e+03    1.83806e+04    1.23042e+04    1.01051e+03   -2.93174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37040e+03    1.03843e+05    2.81445e+05   -1.72086e+04   -2.15778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20060e+04   -1.73704e+06    3.45565e+05   -1.39148e+06   -4.37332e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10131e+02   -2.12467e+02   -2.76427e+01    3.54907e-06

           Step           Time
      227115000   454230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49738e+03    1.84007e+04    1.24520e+04    1.06886e+03   -3.00243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54558e+03    1.03571e+05    2.81777e+05   -1.71969e+04   -2.15604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20583e+04   -1.73486e+06    3.45611e+05   -1.38925e+06   -4.36835e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10173e+02   -2.12179e+02    2.51471e+01    3.54776e-06

           Step           Time
      227120000   454240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34089e+03    1.79031e+04    1.25639e+04    1.14169e+03   -2.92768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47536e+03    1.04272e+05    2.82281e+05   -1.72221e+04   -2.15754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19408e+04   -1.73577e+06    3.46579e+05   -1.38919e+06   -4.36945e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11041e+02   -2.12800e+02    4.33599e+01    3.63356e-06

           Step           Time
      227125000   454250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57127e+03    1.84025e+04    1.23029e+04    1.08623e+03   -2.91236e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48262e+03    1.03443e+05    2.82233e+05   -1.72111e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21318e+04   -1.73571e+06    3.45846e+05   -1.38987e+06   -4.36429e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10383e+02   -2.12529e+02    6.34817e+01    3.57451e-06

           Step           Time
      227130000   454260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41590e+03    1.82409e+04    1.25562e+04    1.10458e+03   -3.00804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65772e+03    1.04097e+05    2.80765e+05   -1.71755e+04   -2.15501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18617e+04   -1.73449e+06    3.46674e+05   -1.38782e+06   -4.36305e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11127e+02   -2.11652e+02    5.42411e+00    3.54350e-06

           Step           Time
      227135000   454270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64146e+03    1.80623e+04    1.24851e+04    1.05536e+03   -2.90169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53864e+03    1.03859e+05    2.83193e+05   -1.72216e+04   -2.15895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21495e+04   -1.73609e+06    3.46495e+05   -1.38960e+06   -4.35599e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10966e+02   -2.12787e+02    4.90925e+01    3.56627e-06

           Step           Time
      227140000   454280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70862e+03    1.83721e+04    1.24899e+04    1.08846e+03   -2.98712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39284e+03    1.03599e+05    2.80787e+05   -1.72155e+04   -2.15664e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17670e+04   -1.73663e+06    3.45659e+05   -1.39097e+06   -4.35255e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10215e+02   -2.12638e+02    3.74072e+00    3.58589e-06

           Step           Time
      227145000   454290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56663e+03    1.76670e+04    1.25799e+04    1.08478e+03   -2.94838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48399e+03    1.03657e+05    2.83029e+05   -1.72290e+04   -2.15956e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19819e+04   -1.73769e+06    3.45525e+05   -1.39217e+06   -4.35454e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10095e+02   -2.12971e+02    3.07860e+01    3.39703e-06

           Step           Time
      227150000   454300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42013e+03    1.80962e+04    1.24320e+04    1.13225e+03   -2.94491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48702e+03    1.04001e+05    2.80694e+05   -1.72046e+04   -2.15573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18865e+04   -1.73573e+06    3.47961e+05   -1.38777e+06   -4.35116e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12282e+02   -2.12370e+02    2.61604e+01    3.66968e-06

           Step           Time
      227155000   454310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66123e+03    1.80790e+04    1.23206e+04    1.09743e+03   -2.91796e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73179e+03    1.03653e+05    2.79607e+05   -1.71855e+04   -2.15492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20049e+04   -1.73587e+06    3.46203e+05   -1.38966e+06   -4.34998e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10704e+02   -2.11899e+02   -1.49874e+01    3.55770e-06

           Step           Time
      227160000   454320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61456e+03    1.83135e+04    1.23427e+04    1.07982e+03   -2.84322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38956e+03    1.03600e+05    2.80414e+05   -1.71860e+04   -2.15702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20311e+04   -1.73726e+06    3.46743e+05   -1.39052e+06   -4.34565e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11188e+02   -2.11910e+02   -1.25256e+02    3.53787e-06

           Step           Time
      227165000   454330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49898e+03    1.80801e+04    1.25886e+04    1.07938e+03   -2.95490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49395e+03    1.04507e+05    2.79493e+05   -1.71895e+04   -2.15428e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19463e+04   -1.73473e+06    3.48163e+05   -1.38657e+06   -4.34844e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12462e+02   -2.11997e+02   -7.13364e+01    3.73449e-06

           Step           Time
      227170000   454340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27867e+03    1.80339e+04    1.25149e+04    1.03217e+03   -2.91954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62903e+03    1.04520e+05    2.82118e+05   -1.72009e+04   -2.15689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19883e+04   -1.73489e+06    3.45001e+05   -1.38989e+06   -4.33869e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09625e+02   -2.12277e+02    1.05667e+02    3.62613e-06

           Step           Time
      227175000   454350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65052e+03    1.84215e+04    1.24988e+04    1.06922e+03   -2.94315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41966e+03    1.03881e+05    2.80100e+05   -1.72171e+04   -2.15714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21269e+04   -1.73714e+06    3.47155e+05   -1.38998e+06   -4.33755e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11558e+02   -2.12677e+02   -8.81316e+01    3.55106e-06

           Step           Time
      227180000   454360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59661e+03    1.80360e+04    1.24455e+04    1.14493e+03   -3.03671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54814e+03    1.04363e+05    2.80722e+05   -1.71736e+04   -2.15503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20242e+04   -1.73436e+06    3.46654e+05   -1.38770e+06   -4.33689e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11108e+02   -2.11604e+02   -2.70231e+01    3.76177e-06

           Step           Time
      227185000   454370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54290e+03    1.83623e+04    1.23865e+04    1.09424e+03   -2.94426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43501e+03    1.03886e+05    2.83840e+05   -1.71932e+04   -2.15817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18983e+04   -1.73486e+06    3.46072e+05   -1.38879e+06   -4.33499e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10587e+02   -2.12088e+02    7.38268e+01    3.51519e-06

           Step           Time
      227190000   454380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36867e+03    1.84376e+04    1.25179e+04    1.08787e+03   -2.90993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59010e+03    1.04036e+05    2.82241e+05   -1.71676e+04   -2.15616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18994e+04   -1.73406e+06    3.47034e+05   -1.38702e+06   -4.32915e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11450e+02   -2.11458e+02    9.88473e+01    3.52743e-06

           Step           Time
      227195000   454390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62469e+03    1.83317e+04    1.23589e+04    1.02540e+03   -2.98908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42753e+03    1.03725e+05    2.82404e+05   -1.71958e+04   -2.15742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20697e+04   -1.73563e+06    3.46286e+05   -1.38935e+06   -4.32721e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10778e+02   -2.12151e+02    2.44989e+01    3.73350e-06

           Step           Time
      227200000   454400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49909e+03    1.83057e+04    1.23629e+04    1.05115e+03   -2.93092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50602e+03    1.04216e+05    2.79730e+05   -1.71685e+04   -2.15334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20733e+04   -1.73370e+06    3.46153e+05   -1.38754e+06   -4.32669e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10659e+02   -2.11479e+02   -5.04901e+01    3.55533e-06

           Step           Time
      227205000   454410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53294e+03    1.84885e+04    1.25492e+04    1.08347e+03   -2.95670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50559e+03    1.03777e+05    2.81302e+05   -1.72144e+04   -2.15636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19785e+04   -1.73531e+06    3.47359e+05   -1.38795e+06   -4.32211e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11741e+02   -2.12612e+02    2.33454e+00    3.51558e-06

           Step           Time
      227210000   454420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53365e+03    1.82408e+04    1.24098e+04    1.08977e+03   -2.86177e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44567e+03    1.03733e+05    2.82699e+05   -1.72304e+04   -2.15898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18965e+04   -1.73703e+06    3.46068e+05   -1.39096e+06   -4.31818e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10583e+02   -2.13005e+02    7.70617e+01    3.55270e-06

           Step           Time
      227215000   454430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47657e+03    1.84059e+04    1.25592e+04    1.06908e+03   -2.96632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44512e+03    1.03866e+05    2.81094e+05   -1.71783e+04   -2.15576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20275e+04   -1.73496e+06    3.48735e+05   -1.38623e+06   -4.31688e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12976e+02   -2.11721e+02    4.22600e+01    3.59542e-06

           Step           Time
      227220000   454440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37612e+03    1.84971e+04    1.24485e+04    9.97936e+02   -3.00638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59726e+03    1.04108e+05    2.82114e+05   -1.71910e+04   -2.15817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20743e+04   -1.73615e+06    3.45855e+05   -1.39029e+06   -4.31329e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10391e+02   -2.12033e+02    4.93661e+01    3.58185e-06

           Step           Time
      227225000   454450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47256e+03    1.81367e+04    1.22389e+04    9.95583e+02   -2.94284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60228e+03    1.04175e+05    2.81144e+05   -1.71662e+04   -2.15584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18247e+04   -1.73536e+06    3.46932e+05   -1.38842e+06   -4.31219e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11358e+02   -2.11424e+02    9.97346e+01    3.59904e-06

           Step           Time
      227230000   454460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44064e+03    1.81784e+04    1.23748e+04    1.05636e+03   -3.06141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53710e+03    1.03953e+05    2.79491e+05   -1.71960e+04   -2.15518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19115e+04   -1.73650e+06    3.45987e+05   -1.39051e+06   -4.30680e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10510e+02   -2.12157e+02   -2.94697e+01    3.48785e-06

           Step           Time
      227235000   454470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45819e+03    1.82657e+04    1.23963e+04    1.04658e+03   -2.79503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50972e+03    1.04061e+05    2.79648e+05   -1.71575e+04   -2.15167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21246e+04   -1.73211e+06    3.43708e+05   -1.38840e+06   -4.30162e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08465e+02   -2.11209e+02   -4.73062e+00    3.61159e-06

           Step           Time
      227240000   454480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62223e+03    1.84454e+04    1.22800e+04    1.06902e+03   -2.88856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50483e+03    1.03955e+05    2.80568e+05   -1.72066e+04   -2.15649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18829e+04   -1.73626e+06    3.46421e+05   -1.38984e+06   -4.29950e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10899e+02   -2.12418e+02   -2.91434e+00    3.57404e-06

           Step           Time
      227245000   454490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55231e+03    1.86240e+04    1.23377e+04    1.11928e+03   -2.82322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49055e+03    1.04112e+05    2.80266e+05   -1.71764e+04   -2.15498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21765e+04   -1.73430e+06    3.46779e+05   -1.38752e+06   -4.29900e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11221e+02   -2.11674e+02    2.08911e+01    3.61744e-06

           Step           Time
      227250000   454500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75012e+03    1.83818e+04    1.24758e+04    1.12396e+03   -2.98966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55524e+03    1.04114e+05    2.82668e+05   -1.72226e+04   -2.15525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20577e+04   -1.73233e+06    3.47696e+05   -1.38464e+06   -4.29445e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12043e+02   -2.12813e+02    1.48402e+02    3.69924e-06

           Step           Time
      227255000   454510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80860e+03    1.82621e+04    1.23656e+04    1.13032e+03   -2.97813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43738e+03    1.03944e+05    2.80417e+05   -1.72285e+04   -2.15618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20243e+04   -1.73600e+06    3.45166e+05   -1.39083e+06   -4.28841e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09773e+02   -2.12957e+02   -5.80079e+01    3.60424e-06

           Step           Time
      227260000   454520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41899e+03    1.79443e+04    1.23563e+04    1.08753e+03   -2.91415e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60474e+03    1.04629e+05    2.83408e+05   -1.71946e+04   -2.15886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19201e+04   -1.73560e+06    3.46410e+05   -1.38919e+06   -4.29061e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10889e+02   -2.12123e+02    1.21320e+02    3.64987e-06

           Step           Time
      227265000   454530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34483e+03    1.83099e+04    1.24478e+04    1.04387e+03   -2.97560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55474e+03    1.03619e+05    2.81669e+05   -1.71521e+04   -2.15414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20454e+04   -1.73323e+06    3.45989e+05   -1.38724e+06   -4.28454e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10512e+02   -2.11075e+02    7.92534e+01    3.74635e-06

           Step           Time
      227270000   454540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48234e+03    1.83837e+04    1.22661e+04    1.09910e+03   -2.80198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49296e+03    1.03791e+05    2.80867e+05   -1.72024e+04   -2.15615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19450e+04   -1.73583e+06    3.47452e+05   -1.38838e+06   -4.28470e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11825e+02   -2.12315e+02    5.89199e+01    3.74325e-06

           Step           Time
      227275000   454550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73132e+03    1.78565e+04    1.24503e+04    1.07102e+03   -2.93116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49742e+03    1.03432e+05    2.82738e+05   -1.71871e+04   -2.15955e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20535e+04   -1.73784e+06    3.45092e+05   -1.39275e+06   -4.27835e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09707e+02   -2.11938e+02   -2.80338e+01    3.50934e-06

           Step           Time
      227280000   454560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57187e+03    1.87662e+04    1.24297e+04    1.08377e+03   -2.96664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47299e+03    1.03563e+05    2.80447e+05   -1.71645e+04   -2.15305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19196e+04   -1.73293e+06    3.46929e+05   -1.38600e+06   -4.27361e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11355e+02   -2.11382e+02   -3.97024e+01    3.75694e-06

           Step           Time
      227285000   454570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47078e+03    1.83350e+04    1.25427e+04    1.09355e+03   -3.00564e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44031e+03    1.03683e+05    2.82733e+05   -1.72443e+04   -2.16019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17465e+04   -1.73839e+06    3.45181e+05   -1.39321e+06   -4.26909e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09787e+02   -2.13348e+02    1.14821e+02    3.70792e-06

           Step           Time
      227290000   454580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50230e+03    1.84084e+04    1.25043e+04    1.18239e+03   -2.87946e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61552e+03    1.04180e+05    2.78413e+05   -1.71911e+04   -2.15131e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21326e+04   -1.73244e+06    3.47039e+05   -1.38540e+06   -4.27195e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11454e+02   -2.12035e+02   -1.14779e+01    3.59654e-06

           Step           Time
      227295000   454590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.22925e+03    1.80347e+04    1.24476e+04    1.11181e+03   -2.96072e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50200e+03    1.04086e+05    2.79769e+05   -1.71812e+04   -2.15403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19674e+04   -1.73502e+06    3.46589e+05   -1.38843e+06   -4.26989e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11050e+02   -2.11793e+02   -1.22330e+01    3.55861e-06

           Step           Time
      227300000   454600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67248e+03    1.83107e+04    1.22992e+04    1.05860e+03   -2.93089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49705e+03    1.03757e+05    2.78834e+05   -1.71464e+04   -2.15191e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20192e+04   -1.73354e+06    3.47063e+05   -1.38648e+06   -4.26854e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11475e+02   -2.10935e+02   -1.11740e+01    3.63001e-06

           Step           Time
      227305000   454610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36254e+03    1.79323e+04    1.24740e+04    1.04319e+03   -2.90651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51558e+03    1.04292e+05    2.81650e+05   -1.71530e+04   -2.15928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18708e+04   -1.73820e+06    3.46107e+05   -1.39209e+06   -4.26356e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10618e+02   -2.11099e+02   -4.25112e+01    3.61017e-06

           Step           Time
      227310000   454620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42023e+03    1.81061e+04    1.22681e+04    1.10232e+03   -2.86629e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62315e+03    1.03989e+05    2.81005e+05   -1.71635e+04   -2.15588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22140e+04   -1.73518e+06    3.47017e+05   -1.38816e+06   -4.26339e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11434e+02   -2.11356e+02    2.94242e+01    3.86043e-06

           Step           Time
      227315000   454630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45430e+03    1.80980e+04    1.24696e+04    1.07601e+03   -2.96767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57938e+03    1.04102e+05    2.84943e+05   -1.72329e+04   -2.16493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17457e+04   -1.74066e+06    3.47919e+05   -1.39274e+06   -4.25796e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12244e+02   -2.13068e+02    1.18607e+02    3.65648e-06

           Step           Time
      227320000   454640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70445e+03    1.84023e+04    1.23932e+04    1.06716e+03   -2.99297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56773e+03    1.03895e+05    2.81615e+05   -1.72191e+04   -2.15764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17953e+04   -1.73642e+06    3.47841e+05   -1.38858e+06   -4.25238e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12173e+02   -2.12726e+02    4.24190e+01    3.53086e-06

           Step           Time
      227325000   454650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35528e+03    1.80663e+04    1.23996e+04    1.06801e+03   -3.00261e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51001e+03    1.04256e+05    2.80972e+05   -1.71606e+04   -2.15858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19219e+04   -1.73820e+06    3.46009e+05   -1.39219e+06   -4.25112e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10529e+02   -2.11286e+02   -1.92193e+01    3.54128e-06

           Step           Time
      227330000   454660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38480e+03    1.80195e+04    1.24324e+04    1.07355e+03   -2.98482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52717e+03    1.04497e+05    2.79749e+05   -1.72247e+04   -2.15696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18657e+04   -1.73762e+06    3.45388e+05   -1.39224e+06   -4.24566e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09972e+02   -2.12865e+02   -5.15379e+01    3.75398e-06

           Step           Time
      227335000   454670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53721e+03    1.82124e+04    1.25438e+04    1.14442e+03   -2.97078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49152e+03    1.04002e+05    2.82266e+05   -1.71604e+04   -2.15602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18490e+04   -1.73411e+06    3.47843e+05   -1.38626e+06   -4.24422e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12176e+02   -2.11280e+02    4.26965e+01    3.75366e-06

           Step           Time
      227340000   454680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33939e+03    1.82096e+04    1.24292e+04    1.14414e+03   -2.89611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38686e+03    1.03986e+05    2.81048e+05   -1.71749e+04   -2.15773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20417e+04   -1.73722e+06    3.46784e+05   -1.39044e+06   -4.24594e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11225e+02   -2.11636e+02   -2.07518e+01    3.70451e-06

           Step           Time
      227345000   454690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56786e+03    1.81116e+04    1.23421e+04    1.04474e+03   -2.88656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49274e+03    1.04044e+05    2.80562e+05   -1.71826e+04   -2.15575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20681e+04   -1.73558e+06    3.47291e+05   -1.38829e+06   -4.24321e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11681e+02   -2.11827e+02   -3.35711e+01    3.60661e-06

           Step           Time
      227350000   454700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85908e+03    1.84134e+04    1.25445e+04    1.10739e+03   -2.97497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44219e+03    1.03486e+05    2.82573e+05   -1.71665e+04   -2.15650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17976e+04   -1.73442e+06    3.47462e+05   -1.38696e+06   -4.23901e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11833e+02   -2.11429e+02    7.30121e+01    3.75045e-06

           Step           Time
      227355000   454710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59080e+03    1.83199e+04    1.22512e+04    1.01323e+03   -2.92659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51866e+03    1.03705e+05    2.78458e+05   -1.72251e+04   -2.15293e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19492e+04   -1.73528e+06    3.46812e+05   -1.38847e+06   -4.23874e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11250e+02   -2.12875e+02   -1.05797e+02    3.75999e-06

           Step           Time
      227360000   454720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56162e+03    1.83395e+04    1.22582e+04    1.09102e+03   -2.90946e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50456e+03    1.03300e+05    2.79942e+05   -1.71837e+04   -2.15312e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20240e+04   -1.73419e+06    3.46162e+05   -1.38803e+06   -4.23244e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10667e+02   -2.11853e+02   -5.50621e+00    3.64255e-06

           Step           Time
      227365000   454730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42579e+03    1.82375e+04    1.24790e+04    1.06198e+03   -2.81218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46348e+03    1.03885e+05    2.79872e+05   -1.71886e+04   -2.15344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20191e+04   -1.73400e+06    3.45980e+05   -1.38802e+06   -4.23020e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10504e+02   -2.11974e+02   -5.07736e+01    3.65008e-06

           Step           Time
      227370000   454740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59269e+03    1.82807e+04    1.25383e+04    1.10174e+03   -2.92733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53646e+03    1.03776e+05    2.80899e+05   -1.71539e+04   -2.15343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21750e+04   -1.73261e+06    3.45492e+05   -1.38711e+06   -4.22814e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10066e+02   -2.11119e+02    1.66174e+01    3.66756e-06

           Step           Time
      227375000   454750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68321e+03    1.81973e+04    1.23758e+04    1.06232e+03   -2.81558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48439e+03    1.03987e+05    2.79676e+05   -1.71962e+04   -2.15319e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19382e+04   -1.73380e+06    3.45616e+05   -1.38818e+06   -4.22552e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10177e+02   -2.12162e+02   -3.69001e+01    3.52840e-06

           Step           Time
      227380000   454760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52974e+03    1.77701e+04    1.23977e+04    1.07235e+03   -2.92477e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47895e+03    1.04586e+05    2.81186e+05   -1.72108e+04   -2.15854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20523e+04   -1.73760e+06    3.45789e+05   -1.39182e+06   -4.22389e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10333e+02   -2.12523e+02   -7.77027e+00    3.64148e-06

           Step           Time
      227385000   454770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71947e+03    1.83110e+04    1.24368e+04    1.05322e+03   -2.79591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45870e+03    1.04022e+05    2.83054e+05   -1.71985e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18398e+04   -1.73416e+06    3.47182e+05   -1.38698e+06   -4.21922e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11582e+02   -2.12219e+02    9.09506e+01    3.79958e-06

           Step           Time
      227390000   454780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54180e+03    1.83274e+04    1.24354e+04    1.19013e+03   -2.92345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50790e+03    1.03984e+05    2.81476e+05   -1.72291e+04   -2.15752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17965e+04   -1.73642e+06    3.45527e+05   -1.39089e+06   -4.21725e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10097e+02   -2.12974e+02    2.07111e+01    3.54544e-06

           Step           Time
      227395000   454790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47431e+03    1.87020e+04    1.22847e+04    1.08859e+03   -2.91735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38366e+03    1.03865e+05    2.80040e+05   -1.71744e+04   -2.15276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18958e+04   -1.73312e+06    3.45966e+05   -1.38715e+06   -4.21729e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10491e+02   -2.11624e+02   -7.83773e+00    3.61984e-06

           Step           Time
      227400000   454800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56903e+03    1.84728e+04    1.24400e+04    1.05620e+03   -2.96943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43544e+03    1.03656e+05    2.81331e+05   -1.71762e+04   -2.15407e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20612e+04   -1.73320e+06    3.46250e+05   -1.38695e+06   -4.21272e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10746e+02   -2.11668e+02    1.89023e+00    3.63656e-06

           Step           Time
      227405000   454810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40491e+03    1.78430e+04    1.24095e+04    1.15386e+03   -2.81957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47443e+03    1.04277e+05    2.80440e+05   -1.71863e+04   -2.15728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18140e+04   -1.73747e+06    3.46652e+05   -1.39082e+06   -4.21329e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11106e+02   -2.11918e+02   -1.02078e+01    3.73752e-06

           Step           Time
      227410000   454820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26929e+03    1.85151e+04    1.23630e+04    1.06513e+03   -2.97432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50035e+03    1.04582e+05    2.82130e+05   -1.72291e+04   -2.15957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20469e+04   -1.73730e+06    3.46316e+05   -1.39098e+06   -4.20738e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10805e+02   -2.12974e+02    9.77167e+01    3.62323e-06

           Step           Time
      227415000   454830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48950e+03    1.82143e+04    1.23042e+04    1.09409e+03   -2.88709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49487e+03    1.03829e+05    2.82218e+05   -1.71882e+04   -2.15800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20028e+04   -1.73643e+06    3.45486e+05   -1.39094e+06   -4.20132e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10060e+02   -2.11964e+02    6.86876e+01    3.58804e-06

           Step           Time
      227420000   454840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52628e+03    1.84606e+04    1.24322e+04    1.05946e+03   -2.96421e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42594e+03    1.03771e+05    2.79142e+05   -1.71582e+04   -2.15341e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18337e+04   -1.73488e+06    3.47416e+05   -1.38746e+06   -4.20515e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11793e+02   -2.11225e+02   -9.36299e+01    3.76382e-06

           Step           Time
      227425000   454850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65382e+03    1.79383e+04    1.25596e+04    1.12759e+03   -2.89851e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57138e+03    1.04116e+05    2.80824e+05   -1.71903e+04   -2.15586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18877e+04   -1.73528e+06    3.47277e+05   -1.38800e+06   -4.20236e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11668e+02   -2.12016e+02    7.98030e+00    3.47768e-06

           Step           Time
      227430000   454860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74571e+03    1.82850e+04    1.25219e+04    1.09379e+03   -2.86372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40952e+03    1.03541e+05    2.80467e+05   -1.71822e+04   -2.15414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21788e+04   -1.73394e+06    3.44868e+05   -1.38907e+06   -4.19320e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09505e+02   -2.11817e+02   -4.61220e+01    3.75645e-06

           Step           Time
      227435000   454870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41712e+03    1.82477e+04    1.22455e+04    1.08641e+03   -2.87631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46090e+03    1.03973e+05    2.80895e+05   -1.71513e+04   -2.15274e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21795e+04   -1.73227e+06    3.43736e+05   -1.38853e+06   -4.19551e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08489e+02   -2.11056e+02    7.80980e+00    3.65446e-06

           Step           Time
      227440000   454880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55816e+03    1.86354e+04    1.22916e+04    1.07113e+03   -2.95620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69725e+03    1.03710e+05    2.82882e+05   -1.71757e+04   -2.15618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21889e+04   -1.73328e+06    3.45227e+05   -1.38805e+06   -4.18769e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09828e+02   -2.11657e+02    1.33412e+02    3.54915e-06

           Step           Time
      227445000   454890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27660e+03    1.81390e+04    1.24987e+04    1.13771e+03   -2.89804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57348e+03    1.04104e+05    2.81704e+05   -1.72304e+04   -2.15695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19931e+04   -1.73566e+06    3.46831e+05   -1.38882e+06   -4.19059e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11267e+02   -2.13005e+02    1.19285e+02    3.76259e-06

           Step           Time
      227450000   454900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48791e+03    1.78283e+04    1.22881e+04    1.04332e+03   -2.83657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46647e+03    1.03941e+05    2.81011e+05   -1.72148e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19052e+04   -1.73564e+06    3.45464e+05   -1.39018e+06   -4.18836e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10040e+02   -2.12621e+02   -8.58161e+00    3.67264e-06

           Step           Time
      227455000   454910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62417e+03    1.85166e+04    1.23561e+04    1.14387e+03   -2.93424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50731e+03    1.04024e+05    2.77664e+05   -1.71788e+04   -2.14976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21580e+04   -1.73188e+06    3.44919e+05   -1.38696e+06   -4.18299e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09551e+02   -2.11732e+02   -4.62758e+01    3.49477e-06

           Step           Time
      227460000   454920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67138e+03    1.81880e+04    1.25600e+04    1.10529e+03   -2.99225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50341e+03    1.03886e+05    2.81623e+05   -1.71989e+04   -2.15502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18242e+04   -1.73385e+06    3.47379e+05   -1.38647e+06   -4.18269e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11759e+02   -2.12228e+02    1.08256e+01    3.68814e-06

           Step           Time
      227465000   454930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47117e+03    1.84053e+04    1.23157e+04    1.01907e+03   -2.92758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39315e+03    1.03827e+05    2.80197e+05   -1.72108e+04   -2.15475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19085e+04   -1.73535e+06    3.47356e+05   -1.38800e+06   -4.18310e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11738e+02   -2.12521e+02   -1.76967e+01    3.68951e-06

           Step           Time
      227470000   454940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55340e+03    1.81309e+04    1.24764e+04    1.07322e+03   -2.92481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45801e+03    1.03756e+05    2.81735e+05   -1.72015e+04   -2.15622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18989e+04   -1.73526e+06    3.47938e+05   -1.38732e+06   -4.18094e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12261e+02   -2.12292e+02   -2.22040e+01    3.67533e-06

           Step           Time
      227475000   454950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64345e+03    1.81865e+04    1.23142e+04    1.07688e+03   -2.97718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58645e+03    1.03187e+05    2.80747e+05   -1.71928e+04   -2.15572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19850e+04   -1.73617e+06    3.45640e+05   -1.39053e+06   -4.18044e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10198e+02   -2.12077e+02   -2.28958e+01    3.71332e-06

           Step           Time
      227480000   454960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51632e+03    1.81891e+04    1.25501e+04    1.13276e+03   -3.01353e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54330e+03    1.03828e+05    2.81590e+05   -1.71957e+04   -2.15742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18855e+04   -1.73640e+06    3.46848e+05   -1.38955e+06   -4.17300e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11283e+02   -2.12149e+02    3.64282e+01    3.64238e-06

           Step           Time
      227485000   454970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51321e+03    1.82984e+04    1.21826e+04    1.01657e+03   -2.82466e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51261e+03    1.03849e+05    2.80682e+05   -1.71655e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20837e+04   -1.73505e+06    3.46128e+05   -1.38892e+06   -4.17039e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10637e+02   -2.11406e+02   -5.60897e+01    3.63653e-06

           Step           Time
      227490000   454980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47294e+03    1.79897e+04    1.23469e+04    1.02957e+03   -2.92724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46802e+03    1.04616e+05    2.81612e+05   -1.72189e+04   -2.15697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20682e+04   -1.73551e+06    3.46054e+05   -1.38946e+06   -4.17110e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10570e+02   -2.12722e+02    8.62643e+01    3.65894e-06

           Step           Time
      227495000   454990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60795e+03    1.83998e+04    1.22531e+04    1.02920e+03   -3.00095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44759e+03    1.03870e+05    2.79056e+05   -1.72153e+04   -2.15286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19597e+04   -1.73446e+06    3.44890e+05   -1.38957e+06   -4.16618e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09525e+02   -2.12634e+02   -5.65511e+01    3.51030e-06

           Step           Time
      227500000   455000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55221e+03    1.80856e+04    1.24387e+04    1.08231e+03   -3.02495e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48864e+03    1.03952e+05    2.79761e+05   -1.71734e+04   -2.15514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19629e+04   -1.73602e+06    3.47006e+05   -1.38901e+06   -4.16289e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11424e+02   -2.11601e+02   -5.42429e+01    3.50932e-06

           Step           Time
      227505000   455010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57759e+03    1.83272e+04    1.24436e+04    1.08439e+03   -2.85610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57516e+03    1.03711e+05    2.76530e+05   -1.71532e+04   -2.14739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19129e+04   -1.73123e+06    3.46525e+05   -1.38471e+06   -4.16660e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10992e+02   -2.11104e+02   -1.51324e+02    3.69577e-06

           Step           Time
      227510000   455020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46770e+03    1.83112e+04    1.22871e+04    1.03374e+03   -2.92637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55268e+03    1.04049e+05    2.80029e+05   -1.71618e+04   -2.15467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19125e+04   -1.73511e+06    3.47256e+05   -1.38786e+06   -4.16495e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11649e+02   -2.11314e+02   -7.48836e+01    3.57344e-06

           Step           Time
      227515000   455030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43749e+03    1.84066e+04    1.26181e+04    1.13259e+03   -2.94973e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51094e+03    1.03386e+05    2.81264e+05   -1.72062e+04   -2.15491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20206e+04   -1.73429e+06    3.46092e+05   -1.38819e+06   -4.15866e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10604e+02   -2.12407e+02    1.86962e+01    3.60366e-06

           Step           Time
      227520000   455040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50576e+03    1.81400e+04    1.23174e+04    1.04559e+03   -2.85650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49539e+03    1.04260e+05    2.78087e+05   -1.71679e+04   -2.15449e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19153e+04   -1.73675e+06    3.46249e+05   -1.39050e+06   -4.16214e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10745e+02   -2.11466e+02   -1.53176e+02    3.76017e-06

           Step           Time
      227525000   455050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49172e+03    1.83542e+04    1.24819e+04    1.01878e+03   -2.83629e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48789e+03    1.04002e+05    2.81527e+05   -1.72423e+04   -2.15745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18509e+04   -1.73632e+06    3.47443e+05   -1.38888e+06   -4.15792e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11816e+02   -2.13301e+02    5.59462e+01    3.53602e-06

           Step           Time
      227530000   455060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25399e+03    1.83539e+04    1.25033e+04    1.11727e+03   -2.89286e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45811e+03    1.04577e+05    2.82523e+05   -1.72151e+04   -2.15900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18999e+04   -1.73643e+06    3.47339e+05   -1.38909e+06   -4.15022e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11723e+02   -2.12628e+02    8.41433e+01    3.66805e-06

           Step           Time
      227535000   455070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51101e+03    1.82674e+04    1.24870e+04    1.04924e+03   -2.88290e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45195e+03    1.04082e+05    2.81026e+05   -1.71889e+04   -2.15631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19291e+04   -1.73558e+06    3.46087e+05   -1.38949e+06   -4.14800e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10599e+02   -2.11982e+02   -1.41083e+01    3.49600e-06

           Step           Time
      227540000   455080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67479e+03    1.84344e+04    1.24588e+04    1.07201e+03   -2.86275e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40346e+03    1.03671e+05    2.82107e+05   -1.71790e+04   -2.15656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19238e+04   -1.73485e+06    3.46460e+05   -1.38839e+06   -4.14785e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10935e+02   -2.11737e+02    6.50050e+00    3.59437e-06

           Step           Time
      227545000   455090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58789e+03    1.83725e+04    1.24001e+04    1.04321e+03   -3.00499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50994e+03    1.03743e+05    2.80476e+05   -1.72036e+04   -2.15512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20484e+04   -1.73515e+06    3.46024e+05   -1.38913e+06   -4.14336e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10543e+02   -2.12344e+02    2.46867e+01    3.67600e-06

           Step           Time
      227550000   455100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33484e+03    1.75379e+04    1.23565e+04    1.11838e+03   -2.91464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56502e+03    1.04394e+05    2.79260e+05   -1.71986e+04   -2.15259e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19315e+04   -1.73421e+06    3.44226e+05   -1.38998e+06   -4.14724e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08930e+02   -2.12221e+02   -6.98543e+01    3.79272e-06

           Step           Time
      227555000   455110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51596e+03    1.80424e+04    1.23672e+04    1.00357e+03   -2.89954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39059e+03    1.04148e+05    2.80948e+05   -1.71564e+04   -2.15451e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17390e+04   -1.73441e+06    3.46553e+05   -1.38786e+06   -4.14740e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11018e+02   -2.11181e+02   -3.67178e+01    3.57793e-06

           Step           Time
      227560000   455120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51110e+03    1.84319e+04    1.23026e+04    1.06228e+03   -2.90231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58720e+03    1.04182e+05    2.81514e+05   -1.72194e+04   -2.15704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18692e+04   -1.73571e+06    3.47030e+05   -1.38868e+06   -4.14019e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11446e+02   -2.12733e+02    1.05622e+02    3.83139e-06

           Step           Time
      227565000   455130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44933e+03    1.78851e+04    1.22168e+04    1.00911e+03   -2.85288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64109e+03    1.04212e+05    2.79965e+05   -1.71702e+04   -2.15419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22165e+04   -1.73462e+06    3.45472e+05   -1.38914e+06   -4.14141e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10048e+02   -2.11520e+02   -4.53558e+01    3.75566e-06

           Step           Time
      227570000   455140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41830e+03    1.82822e+04    1.23327e+04    1.06452e+03   -2.93085e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52794e+03    1.04131e+05    2.82386e+05   -1.72132e+04   -2.15858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21249e+04   -1.73645e+06    3.45253e+05   -1.39120e+06   -4.13575e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09851e+02   -2.12580e+02    8.59761e+01    3.66239e-06

           Step           Time
      227575000   455150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59133e+03    1.77379e+04    1.22050e+04    1.11436e+03   -2.93571e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45561e+03    1.04172e+05    2.82018e+05   -1.71972e+04   -2.15872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20000e+04   -1.73756e+06    3.45926e+05   -1.39164e+06   -4.13295e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10455e+02   -2.12187e+02   -1.14313e+01    3.54387e-06

           Step           Time
      227580000   455160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50019e+03    1.79215e+04    1.23164e+04    1.17597e+03   -2.93623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48684e+03    1.04003e+05    2.82030e+05   -1.72006e+04   -2.15767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17687e+04   -1.73660e+06    3.46881e+05   -1.38972e+06   -4.13518e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11312e+02   -2.12269e+02    8.20759e+01    3.82810e-06

           Step           Time
      227585000   455170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61992e+03    1.83107e+04    1.22538e+04    1.01015e+03   -2.79040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51331e+03    1.04088e+05    2.81212e+05   -1.71680e+04   -2.15468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18878e+04   -1.73374e+06    3.46960e+05   -1.38678e+06   -4.12836e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11383e+02   -2.11467e+02    4.07946e+01    3.77027e-06

           Step           Time
      227590000   455180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49899e+03    1.84532e+04    1.23644e+04    1.08245e+03   -2.84655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49003e+03    1.03580e+05    2.79360e+05   -1.71764e+04   -2.15045e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19507e+04   -1.73169e+06    3.45942e+05   -1.38575e+06   -4.12420e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10469e+02   -2.11673e+02    2.88666e+01    3.72227e-06

           Step           Time
      227595000   455190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54885e+03    1.83815e+04    1.23803e+04    9.99742e+02   -2.94611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46869e+03    1.04088e+05    2.79754e+05   -1.71545e+04   -2.15362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20992e+04   -1.73400e+06    3.47873e+05   -1.38613e+06   -4.12500e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12202e+02   -2.11135e+02   -8.47330e+01    3.71283e-06

           Step           Time
      227600000   455200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78831e+03    1.86183e+04    1.23675e+04    9.96853e+02   -2.96830e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35804e+03    1.03732e+05    2.80356e+05   -1.71855e+04   -2.15417e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21618e+04   -1.73395e+06    3.47402e+05   -1.38654e+06   -4.12315e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11780e+02   -2.11898e+02   -7.80683e+01    3.56894e-06

           Step           Time
      227605000   455210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46059e+03    1.81079e+04    1.22503e+04    1.06000e+03   -2.92220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52584e+03    1.03798e+05    2.80780e+05   -1.72141e+04   -2.15251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22190e+04   -1.73245e+06    3.45212e+05   -1.38723e+06   -4.12200e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09814e+02   -2.12602e+02    2.57849e+01    3.68901e-06

           Step           Time
      227610000   455220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69469e+03    1.81587e+04    1.23289e+04    1.06550e+03   -2.97092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53428e+03    1.04256e+05    2.80720e+05   -1.71895e+04   -2.15718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19849e+04   -1.73660e+06    3.47698e+05   -1.38890e+06   -4.11891e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12046e+02   -2.11997e+02   -1.05201e+01    3.78350e-06

           Step           Time
      227615000   455230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41460e+03    1.78592e+04    1.23725e+04    1.02899e+03   -2.86505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65135e+03    1.04391e+05    2.79407e+05   -1.71685e+04   -2.15543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20477e+04   -1.73629e+06    3.45469e+05   -1.39082e+06   -4.11561e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10045e+02   -2.11479e+02   -8.60773e+01    3.50844e-06

           Step           Time
      227620000   455240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44117e+03    1.81953e+04    1.23307e+04    1.06040e+03   -2.94827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53822e+03    1.04053e+05    2.79217e+05   -1.71070e+04   -2.15260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21141e+04   -1.73370e+06    3.45384e+05   -1.38832e+06   -4.11485e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09968e+02   -2.09968e+02   -9.10727e+01    3.69035e-06

           Step           Time
      227625000   455250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70124e+03    1.81708e+04    1.23817e+04    1.08279e+03   -2.93212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45778e+03    1.04746e+05    2.81516e+05   -1.71572e+04   -2.15882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21243e+04   -1.73673e+06    3.46119e+05   -1.39061e+06   -4.10728e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10629e+02   -2.11201e+02   -5.21288e+01    3.68989e-06

           Step           Time
      227630000   455260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61136e+03    1.83862e+04    1.24719e+04    1.03873e+03   -2.93537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47374e+03    1.04730e+05    2.79770e+05   -1.71833e+04   -2.15542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20402e+04   -1.73502e+06    3.46557e+05   -1.38846e+06   -4.10138e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11021e+02   -2.11844e+02   -2.70255e+00    3.58142e-06

           Step           Time
      227635000   455270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58834e+03    1.83014e+04    1.24741e+04    1.09558e+03   -2.96334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53204e+03    1.04423e+05    2.80118e+05   -1.71968e+04   -2.15381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20673e+04   -1.73337e+06    3.47082e+05   -1.38629e+06   -4.10199e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11493e+02   -2.12177e+02    1.48461e+01    3.81647e-06

           Step           Time
      227640000   455280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45688e+03    1.79769e+04    1.23394e+04    9.75713e+02   -2.87255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48573e+03    1.04685e+05    2.81959e+05   -1.71843e+04   -2.15677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21212e+04   -1.73483e+06    3.45823e+05   -1.38901e+06   -4.10085e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10362e+02   -2.11868e+02   -2.23351e+01    3.70809e-06

           Step           Time
      227645000   455290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35460e+03    1.86437e+04    1.25074e+04    1.20206e+03   -2.98792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47118e+03    1.04328e+05    2.77598e+05   -1.71696e+04   -2.15153e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20533e+04   -1.73352e+06    3.46525e+05   -1.38700e+06   -4.09495e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10993e+02   -2.11507e+02   -1.10432e+02    3.63438e-06

           Step           Time
      227650000   455300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58285e+03    1.79256e+04    1.24438e+04    1.05393e+03   -2.90953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46308e+03    1.04858e+05    2.80757e+05   -1.71668e+04   -2.15535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19391e+04   -1.73441e+06    3.45193e+05   -1.38922e+06   -4.09210e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09797e+02   -2.11437e+02   -2.80578e+01    3.62498e-06

           Step           Time
      227655000   455310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54851e+03    1.82052e+04    1.22013e+04    1.04726e+03   -2.91040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39534e+03    1.04417e+05    2.80874e+05   -1.71522e+04   -2.15579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21613e+04   -1.73500e+06    3.46630e+05   -1.38837e+06   -4.09210e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11087e+02   -2.11078e+02   -3.30422e+01    3.80613e-06

           Step           Time
      227660000   455320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37649e+03    1.83545e+04    1.23527e+04    1.11903e+03   -2.95535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60316e+03    1.03886e+05    2.80739e+05   -1.71514e+04   -2.15645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21774e+04   -1.73595e+06    3.46650e+05   -1.38930e+06   -4.08615e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11105e+02   -2.11060e+02    5.86903e+00    3.67432e-06

           Step           Time
      227665000   455330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69895e+03    1.80130e+04    1.23089e+04    1.07384e+03   -2.99264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52159e+03    1.04519e+05    2.82025e+05   -1.72065e+04   -2.15792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20153e+04   -1.73594e+06    3.44529e+05   -1.39141e+06   -4.07995e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09202e+02   -2.12415e+02    4.62723e+00    3.55880e-06

           Step           Time
      227670000   455340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66223e+03    1.80130e+04    1.24115e+04    1.02545e+03   -2.91925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40548e+03    1.04923e+05    2.81378e+05   -1.71927e+04   -2.15874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18016e+04   -1.73723e+06    3.46366e+05   -1.39086e+06   -4.08330e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10850e+02   -2.12074e+02   -4.24277e+01    3.53467e-06

           Step           Time
      227675000   455350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35062e+03    1.82387e+04    1.24556e+04    1.14098e+03   -2.98875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47962e+03    1.04473e+05    2.79672e+05   -1.71859e+04   -2.15646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20370e+04   -1.73679e+06    3.44521e+05   -1.39227e+06   -4.07769e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09194e+02   -2.11909e+02    2.37261e+01    3.60272e-06

           Step           Time
      227680000   455360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59936e+03    1.80791e+04    1.24854e+04    1.01836e+03   -3.01498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51065e+03    1.04988e+05    2.80711e+05   -1.71589e+04   -2.15439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20012e+04   -1.73317e+06    3.47857e+05   -1.38532e+06   -4.07789e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12188e+02   -2.11244e+02   -4.58227e+01    3.81357e-06

Writing checkpoint, step 227681400 at Fri Dec  1 20:53:07 2023


           Step           Time
      227685000   455370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42909e+03    1.81966e+04    1.23013e+04    1.04864e+03   -2.90416e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52001e+03    1.04749e+05    2.79888e+05   -1.71761e+04   -2.15523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19151e+04   -1.73526e+06    3.45435e+05   -1.38983e+06   -4.07479e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10015e+02   -2.11666e+02   -8.10295e+01    3.75259e-06

           Step           Time
      227690000   455380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49666e+03    1.81561e+04    1.23454e+04    1.07772e+03   -2.92474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49844e+03    1.04519e+05    2.79934e+05   -1.71757e+04   -2.15534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21224e+04   -1.73529e+06    3.46890e+05   -1.38840e+06   -4.07144e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11320e+02   -2.11658e+02   -6.18558e+01    3.66730e-06

           Step           Time
      227695000   455390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54179e+03    1.77279e+04    1.24736e+04    1.06411e+03   -2.99017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55015e+03    1.04845e+05    2.80346e+05   -1.71725e+04   -2.15525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18739e+04   -1.73499e+06    3.47847e+05   -1.38714e+06   -4.06899e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12179e+02   -2.11577e+02    2.26545e+01    3.64648e-06

           Step           Time
      227700000   455400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34985e+03    1.82903e+04    1.22703e+04    1.09143e+03   -2.91391e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44810e+03    1.04307e+05    2.81452e+05   -1.72196e+04   -2.16019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18221e+04   -1.73929e+06    3.45576e+05   -1.39372e+06   -4.06354e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10141e+02   -2.12740e+02    4.04333e+01    3.63119e-06

           Step           Time
      227705000   455410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35470e+03    1.82621e+04    1.24506e+04    1.02011e+03   -2.98148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57501e+03    1.04210e+05    2.83218e+05   -1.71642e+04   -2.15690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20877e+04   -1.73387e+06    3.46679e+05   -1.38719e+06   -4.06268e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11131e+02   -2.11374e+02    1.48618e+02    3.65629e-06

           Step           Time
      227710000   455420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57761e+03    1.83926e+04    1.24392e+04    1.10505e+03   -2.96951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42390e+03    1.04465e+05    2.81703e+05   -1.72416e+04   -2.15273e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20788e+04   -1.73076e+06    3.46424e+05   -1.38434e+06   -4.05951e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10902e+02   -2.13283e+02    1.32227e+02    3.60242e-06

           Step           Time
      227715000   455430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35920e+03    1.80902e+04    1.25778e+04    1.09948e+03   -2.97560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55986e+03    1.04159e+05    2.81316e+05   -1.72007e+04   -2.15775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20412e+04   -1.73672e+06    3.46054e+05   -1.39067e+06   -4.05770e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10570e+02   -2.12273e+02    5.61625e+01    3.54048e-06

           Step           Time
      227720000   455440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55570e+03    1.83046e+04    1.24892e+04    1.05352e+03   -2.96174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60493e+03    1.04249e+05    2.78211e+05   -1.71923e+04   -2.15398e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18815e+04   -1.73578e+06    3.46724e+05   -1.38906e+06   -4.05851e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11171e+02   -2.12066e+02   -1.07064e+02    3.74641e-06

           Step           Time
      227725000   455450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67472e+03    1.81778e+04    1.24107e+04    1.10028e+03   -2.93505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46446e+03    1.03909e+05    2.79645e+05   -1.71879e+04   -2.15505e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22225e+04   -1.73557e+06    3.46001e+05   -1.38957e+06   -4.05420e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10522e+02   -2.11958e+02   -8.14463e+01    3.72975e-06

           Step           Time
      227730000   455460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73253e+03    1.83525e+04    1.23359e+04    1.06894e+03   -2.89788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45792e+03    1.04577e+05    2.80628e+05   -1.72104e+04   -2.15555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18174e+04   -1.73469e+06    3.48269e+05   -1.38642e+06   -4.05465e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12558e+02   -2.12511e+02   -2.91543e+00    3.49545e-06

           Step           Time
      227735000   455470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58492e+03    1.82518e+04    1.24177e+04    1.05506e+03   -3.00162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57398e+03    1.04131e+05    2.79070e+05   -1.71841e+04   -2.15367e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20582e+04   -1.73472e+06    3.47636e+05   -1.38708e+06   -4.05189e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11990e+02   -2.11863e+02   -5.97422e+01    3.52165e-06

           Step           Time
      227740000   455480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63305e+03    1.82528e+04    1.23317e+04    1.02822e+03   -2.96670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42027e+03    1.04365e+05    2.81342e+05   -1.72173e+04   -2.15918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18784e+04   -1.73812e+06    3.46424e+05   -1.39169e+06   -4.04730e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10902e+02   -2.12682e+02   -2.94385e+01    3.57498e-06

           Step           Time
      227745000   455490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51009e+03    1.81291e+04    1.24219e+04    1.08575e+03   -3.02679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52322e+03    1.04102e+05    2.80725e+05   -1.71870e+04   -2.15546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19951e+04   -1.73518e+06    3.45157e+05   -1.39002e+06   -4.04278e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09765e+02   -2.11934e+02   -3.18315e+01    3.49387e-06

           Step           Time
      227750000   455500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39636e+03    1.78702e+04    1.25225e+04    1.18710e+03   -2.96737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61371e+03    1.04352e+05    2.81855e+05   -1.72158e+04   -2.15923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19804e+04   -1.73763e+06    3.45367e+05   -1.39227e+06   -4.04328e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09953e+02   -2.12646e+02    4.13248e+01    3.76784e-06

           Step           Time
      227755000   455510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66982e+03    1.80716e+04    1.22976e+04    1.07307e+03   -2.98850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43580e+03    1.03938e+05    2.81875e+05   -1.71848e+04   -2.15747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.16376e+04   -1.73665e+06    3.45696e+05   -1.39095e+06   -4.03946e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10249e+02   -2.11880e+02    2.44901e+01    3.75193e-06

           Step           Time
      227760000   455520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65856e+03    1.81711e+04    1.25733e+04    1.07579e+03   -2.98884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61013e+03    1.04493e+05    2.80110e+05   -1.72081e+04   -2.15503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19526e+04   -1.73458e+06    3.48055e+05   -1.38653e+06   -4.03670e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12366e+02   -2.12456e+02    1.90590e+01    3.79485e-06

           Step           Time
      227765000   455530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37542e+03    1.84473e+04    1.24935e+04    1.04009e+03   -2.92790e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55629e+03    1.04136e+05    2.78924e+05   -1.71709e+04   -2.15164e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19293e+04   -1.73283e+06    3.48113e+05   -1.38472e+06   -4.03459e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12418e+02   -2.11539e+02   -8.09903e+01    3.76721e-06

           Step           Time
      227770000   455540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42867e+03    1.82730e+04    1.22693e+04    1.08653e+03   -3.15144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56228e+03    1.04345e+05    2.81038e+05   -1.72119e+04   -2.15666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17955e+04   -1.73623e+06    3.45483e+05   -1.39075e+06   -4.02870e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10058e+02   -2.12550e+02   -2.53151e+01    3.59979e-06

           Step           Time
      227775000   455550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58180e+03    1.86979e+04    1.23647e+04    1.09470e+03   -3.11630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50040e+03    1.04443e+05    2.82125e+05   -1.71604e+04   -2.15626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21395e+04   -1.73359e+06    3.45145e+05   -1.38844e+06   -4.02620e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09755e+02   -2.11281e+02    4.14321e+01    3.46606e-06

           Step           Time
      227780000   455560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39703e+03    1.84018e+04    1.23438e+04    1.12838e+03   -3.05158e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46724e+03    1.04263e+05    2.82782e+05   -1.72180e+04   -2.15802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18501e+04   -1.73566e+06    3.47800e+05   -1.38786e+06   -4.02911e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12137e+02   -2.12699e+02    2.73911e+01    3.60289e-06

           Step           Time
      227785000   455570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53736e+03    1.82070e+04    1.24411e+04    1.07363e+03   -3.11273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61318e+03    1.04278e+05    2.80980e+05   -1.72130e+04   -2.15801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18745e+04   -1.73733e+06    3.45843e+05   -1.39148e+06   -4.02245e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10381e+02   -2.12576e+02    1.00142e+01    3.74113e-06

           Step           Time
      227790000   455580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29420e+03    1.84618e+04    1.25011e+04    1.09052e+03   -3.05508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51926e+03    1.04009e+05    2.79298e+05   -1.71907e+04   -2.15319e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20878e+04   -1.73417e+06    3.45557e+05   -1.38862e+06   -4.02006e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10124e+02   -2.12025e+02   -1.85742e+01    3.73405e-06

           Step           Time
      227795000   455590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52562e+03    1.84459e+04    1.24217e+04    1.06256e+03   -3.01122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38688e+03    1.04295e+05    2.81377e+05   -1.72083e+04   -2.15604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19278e+04   -1.73482e+06    3.47460e+05   -1.38736e+06   -4.02122e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11832e+02   -2.12459e+02    1.55448e+01    3.79116e-06

           Step           Time
      227800000   455600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76292e+03    1.82130e+04    1.23654e+04    1.06069e+03   -3.01777e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40063e+03    1.03734e+05    2.79735e+05   -1.71747e+04   -2.15615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19509e+04   -1.73712e+06    3.46643e+05   -1.39048e+06   -4.01248e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11099e+02   -2.11633e+02   -7.48409e+01    3.57855e-06

           Step           Time
      227805000   455610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72249e+03    1.83079e+04    1.24511e+04    1.06659e+03   -3.00617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34906e+03    1.04702e+05    2.80331e+05   -1.72074e+04   -2.15500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17728e+04   -1.73451e+06    3.47036e+05   -1.38747e+06   -4.00965e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11451e+02   -2.12438e+02   -1.35655e+01    3.58645e-06

           Step           Time
      227810000   455620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55942e+03    1.80234e+04    1.24297e+04    1.05981e+03   -3.03799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49878e+03    1.04410e+05    2.79660e+05   -1.71628e+04   -2.15489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20577e+04   -1.73539e+06    3.47106e+05   -1.38828e+06   -4.01140e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11514e+02   -2.11339e+02   -1.02681e+02    3.68199e-06

           Step           Time
      227815000   455630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51920e+03    1.80965e+04    1.24156e+04    1.10806e+03   -2.88927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51765e+03    1.04168e+05    2.82611e+05   -1.71676e+04   -2.15755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18673e+04   -1.73531e+06    3.46566e+05   -1.38874e+06   -4.00344e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11029e+02   -2.11457e+02    3.91409e+01    3.74599e-06

           Step           Time
      227820000   455640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54210e+03    1.83777e+04    1.24767e+04    1.07326e+03   -2.99206e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48156e+03    1.03567e+05    2.81533e+05   -1.71856e+04   -2.15634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20580e+04   -1.73541e+06    3.47000e+05   -1.38841e+06   -4.00442e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11419e+02   -2.11901e+02    2.28249e+01    3.62346e-06

           Step           Time
      227825000   455650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82621e+03    1.83623e+04    1.23723e+04    1.07200e+03   -2.90127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.27039e+03    1.03967e+05    2.81157e+05   -1.71518e+04   -2.15380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21492e+04   -1.73267e+06    3.45469e+05   -1.38720e+06   -3.99412e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10045e+02   -2.11068e+02   -4.42068e+01    3.64803e-06

           Step           Time
      227830000   455660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64439e+03    1.80610e+04    1.26329e+04    1.06499e+03   -3.03666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52997e+03    1.03965e+05    2.79475e+05   -1.71588e+04   -2.15304e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19567e+04   -1.73391e+06    3.48100e+05   -1.38581e+06   -3.99731e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12406e+02   -2.11242e+02   -5.68104e+01    3.66318e-06

           Step           Time
      227835000   455670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34567e+03    1.81258e+04    1.24629e+04    1.05678e+03   -2.94248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50155e+03    1.03857e+05    2.81382e+05   -1.71991e+04   -2.15838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20261e+04   -1.73777e+06    3.46363e+05   -1.39141e+06   -3.99055e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10848e+02   -2.12232e+02    1.88820e+01    3.59707e-06

           Step           Time
      227840000   455680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63549e+03    1.83571e+04    1.22409e+04    1.14219e+03   -2.96579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51472e+03    1.04057e+05    2.81202e+05   -1.71684e+04   -2.15549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21124e+04   -1.73436e+06    3.46772e+05   -1.38759e+06   -3.98425e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11215e+02   -2.11476e+02   -6.18252e+00    3.44767e-06

           Step           Time
      227845000   455690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48637e+03    1.84494e+04    1.24204e+04    1.05473e+03   -3.03298e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37545e+03    1.04155e+05    2.80336e+05   -1.71952e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19823e+04   -1.73517e+06    3.47590e+05   -1.38758e+06   -3.98716e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11949e+02   -2.12137e+02    8.99861e+00    3.56100e-06

           Step           Time
      227850000   455700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70779e+03    1.81285e+04    1.25547e+04    1.16816e+03   -3.01276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39642e+03    1.03947e+05    2.84057e+05   -1.72134e+04   -2.15850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19415e+04   -1.73483e+06    3.47303e+05   -1.38753e+06   -3.97938e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11691e+02   -2.12585e+02    1.68144e+02    3.70112e-06

           Step           Time
      227855000   455710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49249e+03    1.82858e+04    1.25548e+04    1.13092e+03   -3.04251e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46204e+03    1.04354e+05    2.81531e+05   -1.71827e+04   -2.15588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18992e+04   -1.73439e+06    3.48287e+05   -1.38610e+06   -3.98102e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12574e+02   -2.11829e+02    3.64066e+01    3.64029e-06

           Step           Time
      227860000   455720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51415e+03    1.82252e+04    1.23131e+04    1.08450e+03   -2.97342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36353e+03    1.03797e+05    2.79644e+05   -1.71181e+04   -2.15397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18727e+04   -1.73525e+06    3.46739e+05   -1.38851e+06   -3.98086e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11185e+02   -2.10240e+02   -1.32634e+02    3.59994e-06

           Step           Time
      227865000   455730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45629e+03    1.83598e+04    1.24108e+04    1.16463e+03   -2.93472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51880e+03    1.03956e+05    2.81228e+05   -1.71643e+04   -2.15533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20152e+04   -1.73432e+06    3.46458e+05   -1.38786e+06   -3.97282e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10933e+02   -2.11376e+02    4.37221e+00    3.61925e-06

           Step           Time
      227870000   455740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90647e+03    1.80030e+04    1.25244e+04    1.06146e+03   -2.95516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42741e+03    1.03787e+05    2.81041e+05   -1.71924e+04   -2.15583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20324e+04   -1.73520e+06    3.46076e+05   -1.38912e+06   -3.97078e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10590e+02   -2.12067e+02    6.73881e+00    3.61958e-06

           Step           Time
      227875000   455750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73533e+03    1.81733e+04    1.25974e+04    1.10778e+03   -2.97705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43286e+03    1.03553e+05    2.79581e+05   -1.71526e+04   -2.15239e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20584e+04   -1.73328e+06    3.48058e+05   -1.38522e+06   -3.96900e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12369e+02   -2.11088e+02   -1.05403e+02    3.74653e-06

           Step           Time
      227880000   455760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30790e+03    1.84878e+04    1.24751e+04    1.09589e+03   -2.98351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50061e+03    1.03548e+05    2.79394e+05   -1.71860e+04   -2.15206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20700e+04   -1.73335e+06    3.47413e+05   -1.38593e+06   -3.96814e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11789e+02   -2.11910e+02    2.24816e+01    3.57535e-06

           Step           Time
      227885000   455770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36554e+03    1.80583e+04    1.24125e+04    1.00666e+03   -2.84376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57976e+03    1.04017e+05    2.79751e+05   -1.72225e+04   -2.15470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20745e+04   -1.73550e+06    3.45488e+05   -1.39002e+06   -3.96375e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10062e+02   -2.12810e+02   -3.40355e-01    3.44929e-06

           Step           Time
      227890000   455780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55858e+03    1.85317e+04    1.23243e+04    1.08788e+03   -3.01542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50562e+03    1.03914e+05    2.80082e+05   -1.72026e+04   -2.15215e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21180e+04   -1.73224e+06    3.48300e+05   -1.38394e+06   -3.96369e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12585e+02   -2.12320e+02    5.01239e+01    3.79867e-06

           Step           Time
      227895000   455790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68314e+03    1.83045e+04    1.25394e+04    1.10448e+03   -3.03312e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46775e+03    1.03946e+05    2.80601e+05   -1.71554e+04   -2.15409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22446e+04   -1.73339e+06    3.48256e+05   -1.38513e+06   -3.95630e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12546e+02   -2.11157e+02   -3.58414e+01    3.66513e-06

           Step           Time
      227900000   455800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60068e+03    1.79236e+04    1.25237e+04    1.10259e+03   -3.01108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49701e+03    1.04260e+05    2.82390e+05   -1.71905e+04   -2.15716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19595e+04   -1.73511e+06    3.44634e+05   -1.39047e+06   -3.95180e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09296e+02   -2.12020e+02    9.51955e+01    3.67585e-06

           Step           Time
      227905000   455810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50649e+03    1.82277e+04    1.25170e+04    1.05881e+03   -2.87677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39510e+03    1.04344e+05    2.81223e+05   -1.72216e+04   -2.15758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19283e+04   -1.73648e+06    3.46843e+05   -1.38964e+06   -3.95040e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11278e+02   -2.12789e+02    8.04471e-01    3.63421e-06

           Step           Time
      227910000   455820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55968e+03    1.81280e+04    1.25278e+04    1.06318e+03   -2.98776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56182e+03    1.03953e+05    2.79803e+05   -1.71351e+04   -2.15429e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19240e+04   -1.73489e+06    3.46284e+05   -1.38861e+06   -3.94571e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10777e+02   -2.10658e+02   -3.44840e+01    3.60709e-06

           Step           Time
      227915000   455830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39519e+03    1.84383e+04    1.25261e+04    1.03390e+03   -3.02331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45045e+03    1.03999e+05    2.82698e+05   -1.71927e+04   -2.15710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20464e+04   -1.73473e+06    3.47929e+05   -1.38680e+06   -3.94291e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12253e+02   -2.12074e+02    8.90376e+01    3.69629e-06

           Step           Time
      227920000   455840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59245e+03    1.82210e+04    1.23904e+04    1.08066e+03   -2.95092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60874e+03    1.04276e+05    2.78939e+05   -1.71723e+04   -2.15270e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20246e+04   -1.73369e+06    3.47556e+05   -1.38613e+06   -3.93894e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11918e+02   -2.11573e+02   -1.36721e+01    3.68022e-06

           Step           Time
      227925000   455850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55784e+03    1.83224e+04    1.25889e+04    1.02219e+03   -3.05080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62593e+03    1.03948e+05    2.81305e+05   -1.71586e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19839e+04   -1.73406e+06    3.46478e+05   -1.38758e+06   -3.93830e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10951e+02   -2.11237e+02    7.31158e+01    3.61890e-06

           Step           Time
      227930000   455860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68144e+03    1.83563e+04    1.25760e+04    1.07163e+03   -3.03225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62943e+03    1.03530e+05    2.82229e+05   -1.71988e+04   -2.15885e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20273e+04   -1.73698e+06    3.46731e+05   -1.39024e+06   -3.93116e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11178e+02   -2.12226e+02    9.21900e+01    3.51421e-06

           Step           Time
      227935000   455870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58159e+03    1.79849e+04    1.23938e+04    1.07426e+03   -2.98249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59342e+03    1.03997e+05    2.80447e+05   -1.71780e+04   -2.15676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18173e+04   -1.73703e+06    3.44865e+05   -1.39217e+06   -3.92976e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09503e+02   -2.11713e+02   -6.62721e+01    3.71233e-06

           Step           Time
      227940000   455880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47585e+03    1.81744e+04    1.24351e+04    1.04254e+03   -3.04318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48737e+03    1.04000e+05    2.81844e+05   -1.72018e+04   -2.15877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19999e+04   -1.73755e+06    3.46564e+05   -1.39099e+06   -3.93176e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11028e+02   -2.12300e+02    2.40229e+01    3.68500e-06

           Step           Time
      227945000   455890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45114e+03    1.84995e+04    1.23461e+04    1.09978e+03   -2.93938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47578e+03    1.04269e+05    2.79877e+05   -1.72046e+04   -2.15581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19566e+04   -1.73597e+06    3.48202e+05   -1.38777e+06   -3.92842e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12498e+02   -2.12368e+02   -7.77970e+01    3.70923e-06

           Step           Time
      227950000   455900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47144e+03    1.84412e+04    1.26066e+04    1.17808e+03   -3.14702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46792e+03    1.03743e+05    2.80168e+05   -1.71268e+04   -2.15266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18070e+04   -1.73305e+06    3.44627e+05   -1.38842e+06   -3.92150e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09289e+02   -2.10454e+02   -6.11140e+01    3.56894e-06

           Step           Time
      227955000   455910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67297e+03    1.82158e+04    1.25389e+04    1.09499e+03   -3.03008e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48398e+03    1.03740e+05    2.80707e+05   -1.72258e+04   -2.15607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20808e+04   -1.73579e+06    3.45561e+05   -1.39023e+06   -3.91509e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10128e+02   -2.12891e+02   -3.19578e+01    3.60022e-06

           Step           Time
      227960000   455920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55572e+03    1.83901e+04    1.23507e+04    1.11870e+03   -3.03589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47469e+03    1.04210e+05    2.81844e+05   -1.72329e+04   -2.15735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20857e+04   -1.73559e+06    3.46904e+05   -1.38869e+06   -3.91311e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11333e+02   -2.13067e+02    6.25703e+01    3.56191e-06

           Step           Time
      227965000   455930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62323e+03    1.85083e+04    1.24316e+04    1.14024e+03   -2.89734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39793e+03    1.03981e+05    2.81612e+05   -1.71664e+04   -2.15516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21149e+04   -1.73342e+06    3.47189e+05   -1.38623e+06   -3.90846e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11588e+02   -2.11428e+02   -1.95226e+01    3.64616e-06

           Step           Time
      227970000   455940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61484e+03    1.77957e+04    1.24061e+04    1.10694e+03   -2.91603e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44621e+03    1.03904e+05    2.80718e+05   -1.72437e+04   -2.15646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18485e+04   -1.73678e+06    3.47616e+05   -1.38917e+06   -3.91134e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11972e+02   -2.13333e+02    3.82088e+01    3.58827e-06

           Step           Time
      227975000   455950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52433e+03    1.85336e+04    1.23119e+04    1.13850e+03   -2.92346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59611e+03    1.03612e+05    2.82304e+05   -1.71910e+04   -2.15684e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19259e+04   -1.73501e+06    3.49345e+05   -1.38566e+06   -3.91129e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13523e+02   -2.12034e+02    1.09139e+02    3.72276e-06

           Step           Time
      227980000   455960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47707e+03    1.78779e+04    1.23665e+04    1.11231e+03   -2.93159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55302e+03    1.04377e+05    2.80566e+05   -1.72214e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19740e+04   -1.73541e+06    3.44160e+05   -1.39124e+06   -3.90459e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08871e+02   -2.12784e+02    4.72390e+01    3.55668e-06

           Step           Time
      227985000   455970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44267e+03    1.87543e+04    1.24300e+04    1.02086e+03   -2.90395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39149e+03    1.03830e+05    2.79641e+05   -1.71385e+04   -2.15140e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21114e+04   -1.73182e+06    3.47656e+05   -1.38416e+06   -3.90794e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12008e+02   -2.10743e+02   -3.45505e+01    3.66363e-06

           Step           Time
      227990000   455980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65117e+03    1.78712e+04    1.23171e+04    1.03042e+03   -2.93964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53109e+03    1.03938e+05    2.80591e+05   -1.72069e+04   -2.15336e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19389e+04   -1.73364e+06    3.43727e+05   -1.38991e+06   -3.90016e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08482e+02   -2.12425e+02   -1.72750e+01    3.69869e-06

           Step           Time
      227995000   455990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37918e+03    1.81296e+04    1.23232e+04    1.03321e+03   -2.96462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45715e+03    1.03951e+05    2.83840e+05   -1.72035e+04   -2.15973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19817e+04   -1.73680e+06    3.45989e+05   -1.39081e+06   -3.89989e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10512e+02   -2.12341e+02    1.42578e+02    3.61819e-06

           Step           Time
      228000000   456000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58938e+03    1.80540e+04    1.23342e+04    1.04875e+03   -2.87022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40155e+03    1.04172e+05    2.78896e+05   -1.71438e+04   -2.15209e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20741e+04   -1.73353e+06    3.44285e+05   -1.38924e+06   -3.89248e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08983e+02   -2.10872e+02   -8.70856e+01    3.52860e-06

           Step           Time
      228005000   456010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45072e+03    1.82782e+04    1.23868e+04    1.09322e+03   -2.93989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59176e+03    1.03933e+05    2.78581e+05   -1.72285e+04   -2.15202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21490e+04   -1.73373e+06    3.46710e+05   -1.38702e+06   -3.89029e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11158e+02   -2.12958e+02   -3.87535e+01    3.57945e-06

           Step           Time
      228010000   456020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61472e+03    1.84163e+04    1.23207e+04    1.14763e+03   -2.98547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42965e+03    1.04335e+05    2.79635e+05   -1.71692e+04   -2.15225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19005e+04   -1.73261e+06    3.46296e+05   -1.38631e+06   -3.89065e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10787e+02   -2.11496e+02   -7.42239e+01    3.71185e-06

           Step           Time
      228015000   456030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63642e+03    1.81500e+04    1.23925e+04    1.14699e+03   -3.00402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46262e+03    1.03922e+05    2.82100e+05   -1.71733e+04   -2.15689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19685e+04   -1.73528e+06    3.45709e+05   -1.38957e+06   -3.88251e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10260e+02   -2.11597e+02    1.65254e+01    3.61154e-06

           Step           Time
      228020000   456040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46048e+03    1.81064e+04    1.25075e+04    9.97044e+02   -2.97778e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51855e+03    1.04019e+05    2.82363e+05   -1.72539e+04   -2.15788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21579e+04   -1.73598e+06    3.45459e+05   -1.39052e+06   -3.88341e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10036e+02   -2.13587e+02    1.12295e+02    3.79128e-06

           Step           Time
      228025000   456050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59141e+03    1.83898e+04    1.23448e+04    1.09177e+03   -3.01557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43445e+03    1.03781e+05    2.82010e+05   -1.71605e+04   -2.15662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19646e+04   -1.73519e+06    3.47388e+05   -1.38780e+06   -3.87770e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11767e+02   -2.11282e+02    1.90651e+01    3.55455e-06

           Step           Time
      228030000   456060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44632e+03    1.82493e+04    1.23857e+04    1.11319e+03   -2.91160e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50827e+03    1.03781e+05    2.80634e+05   -1.71902e+04   -2.15531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17896e+04   -1.73550e+06    3.45798e+05   -1.38971e+06   -3.87621e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10340e+02   -2.12013e+02    1.98482e+01    3.88783e-06

           Step           Time
      228035000   456070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62656e+03    1.86254e+04    1.23263e+04    1.08634e+03   -2.96533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42333e+03    1.03870e+05    2.81575e+05   -1.72135e+04   -2.15645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18924e+04   -1.73520e+06    3.47054e+05   -1.38815e+06   -3.86970e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11467e+02   -2.12589e+02    6.76007e+01    3.68917e-06

           Step           Time
      228040000   456080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72564e+03    1.82223e+04    1.24338e+04    1.03288e+03   -2.84645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42706e+03    1.04113e+05    2.82974e+05   -1.72014e+04   -2.15899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19163e+04   -1.73619e+06    3.46256e+05   -1.38994e+06   -3.86946e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10752e+02   -2.12291e+02    4.59129e+01    3.72564e-06

           Step           Time
      228045000   456090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44624e+03    1.77818e+04    1.23967e+04    1.02861e+03   -2.89085e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36900e+03    1.04114e+05    2.82821e+05   -1.71764e+04   -2.15854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20383e+04   -1.73661e+06    3.46183e+05   -1.39043e+06   -3.87236e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10686e+02   -2.11673e+02    3.60676e+01    3.81719e-06

           Step           Time
      228050000   456100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66667e+03    1.80273e+04    1.23265e+04    1.03830e+03   -2.96268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47109e+03    1.04046e+05    2.78872e+05   -1.71357e+04   -2.15454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19812e+04   -1.73621e+06    3.46732e+05   -1.38948e+06   -3.86590e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11178e+02   -2.10674e+02   -1.65814e+02    3.56178e-06

           Step           Time
      228055000   456110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65485e+03    1.84163e+04    1.24993e+04    1.03367e+03   -3.00384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37378e+03    1.03926e+05    2.81627e+05   -1.71732e+04   -2.15633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18953e+04   -1.73508e+06    3.47708e+05   -1.38738e+06   -3.86561e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12055e+02   -2.11596e+02   -1.31209e+01    3.68338e-06

           Step           Time
      228060000   456120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42585e+03    1.83982e+04    1.22638e+04    1.05950e+03   -2.98664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58432e+03    1.03706e+05    2.77931e+05   -1.71535e+04   -2.15253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21340e+04   -1.73516e+06    3.47379e+05   -1.38779e+06   -3.86046e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11759e+02   -2.11110e+02   -9.29520e+01    3.80574e-06

           Step           Time
      228065000   456130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40831e+03    1.80913e+04    1.23535e+04    1.08838e+03   -2.96188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40220e+03    1.03713e+05    2.79473e+05   -1.72008e+04   -2.15428e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19751e+04   -1.73594e+06    3.45875e+05   -1.39006e+06   -3.85822e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10409e+02   -2.12274e+02   -7.90025e+01    3.60342e-06

           Step           Time
      228070000   456140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56378e+03    1.81649e+04    1.23549e+04    1.09831e+03   -2.92987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45730e+03    1.03979e+05    2.79768e+05   -1.72067e+04   -2.15495e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17662e+04   -1.73594e+06    3.45256e+05   -1.39068e+06   -3.85222e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09854e+02   -2.12422e+02   -7.82128e+00    3.44577e-06

           Step           Time
      228075000   456150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46739e+03    1.83105e+04    1.25615e+04    1.09876e+03   -3.01868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48651e+03    1.04142e+05    2.81418e+05   -1.72311e+04   -2.15818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20439e+04   -1.73690e+06    3.45973e+05   -1.39092e+06   -3.85361e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10498e+02   -2.13021e+02    2.89884e+01    3.54988e-06

           Step           Time
      228080000   456160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45815e+03    1.79572e+04    1.23209e+04    1.01773e+03   -2.89272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59061e+03    1.04228e+05    2.80733e+05   -1.71935e+04   -2.15469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18608e+04   -1.73461e+06    3.45255e+05   -1.38936e+06   -3.84916e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09853e+02   -2.12095e+02    5.08831e+01    3.75562e-06

           Step           Time
      228085000   456170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62036e+03    1.84641e+04    1.23779e+04    1.05036e+03   -2.89762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60692e+03    1.04291e+05    2.81294e+05   -1.71763e+04   -2.15636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19794e+04   -1.73475e+06    3.46157e+05   -1.38860e+06   -3.84265e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10663e+02   -2.11671e+02    7.38408e+01    3.61764e-06

           Step           Time
      228090000   456180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40762e+03    1.85205e+04    1.24068e+04    1.06989e+03   -2.98715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47114e+03    1.04232e+05    2.81089e+05   -1.71640e+04   -2.15639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20187e+04   -1.73533e+06    3.48070e+05   -1.38726e+06   -3.84150e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12379e+02   -2.11368e+02   -5.91702e+01    3.58838e-06

           Step           Time
      228095000   456190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63997e+03    1.82374e+04    1.24424e+04    1.08567e+03   -2.86625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51984e+03    1.03969e+05    2.81860e+05   -1.71618e+04   -2.15302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20620e+04   -1.73123e+06    3.45947e+05   -1.38529e+06   -3.83596e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10474e+02   -2.11316e+02   -1.25877e+01    3.61019e-06

           Step           Time
      228100000   456200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23878e+03    1.88120e+04    1.23606e+04    1.07070e+03   -2.87281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49795e+03    1.03700e+05    2.82208e+05   -1.72018e+04   -2.15820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18938e+04   -1.73650e+06    3.46306e+05   -1.39019e+06   -3.83032e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10796e+02   -2.12299e+02   -4.79835e+00    3.63908e-06

           Step           Time
      228105000   456210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40562e+03    1.83401e+04    1.22112e+04    1.05269e+03   -3.00214e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55723e+03    1.03977e+05    2.80836e+05   -1.72339e+04   -2.15532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19389e+04   -1.73524e+06    3.46326e+05   -1.38891e+06   -3.82870e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10814e+02   -2.13091e+02    5.66839e+01    3.56905e-06

           Step           Time
      228110000   456220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45168e+03    1.82556e+04    1.24784e+04    1.10494e+03   -2.91318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42269e+03    1.04057e+05    2.82438e+05   -1.71945e+04   -2.15714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19341e+04   -1.73511e+06    3.47265e+05   -1.38784e+06   -3.82772e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11657e+02   -2.12120e+02    3.86404e+01    3.55761e-06

           Step           Time
      228115000   456230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35080e+03    1.79339e+04    1.23499e+04    1.06089e+03   -2.99677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48342e+03    1.03829e+05    2.79905e+05   -1.71989e+04   -2.15701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18750e+04   -1.73842e+06    3.45097e+05   -1.39332e+06   -3.82768e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09711e+02   -2.12227e+02   -7.14214e+01    3.60770e-06

           Step           Time
      228120000   456240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64410e+03    1.81865e+04    1.24771e+04    1.04895e+03   -3.03780e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39791e+03    1.03738e+05    2.78354e+05   -1.71754e+04   -2.15285e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20499e+04   -1.73516e+06    3.46585e+05   -1.38858e+06   -3.82249e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11047e+02   -2.11649e+02   -1.37729e+02    3.56151e-06

           Step           Time
      228125000   456250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92559e+03    1.82445e+04    1.22996e+04    1.03259e+03   -2.89547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45509e+03    1.03953e+05    2.85357e+05   -1.72084e+04   -2.16102e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21162e+04   -1.73574e+06    3.45532e+05   -1.39021e+06   -3.81699e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10101e+02   -2.12463e+02    1.14457e+02    3.44395e-06

           Step           Time
      228130000   456260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46279e+03    1.82942e+04    1.22652e+04    9.85001e+02   -2.96340e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46355e+03    1.03816e+05    2.83051e+05   -1.71802e+04   -2.15862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19990e+04   -1.73642e+06    3.45699e+05   -1.39072e+06   -3.81668e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10251e+02   -2.11767e+02    8.65504e+01    3.66012e-06

           Step           Time
      228135000   456270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54795e+03    1.80286e+04    1.24530e+04    9.53197e+02   -3.05405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46854e+03    1.03814e+05    2.80788e+05   -1.72014e+04   -2.15562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21715e+04   -1.73565e+06    3.46704e+05   -1.38894e+06   -3.81360e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11154e+02   -2.12291e+02    3.38480e+01    3.56556e-06

           Step           Time
      228140000   456280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40013e+03    1.81582e+04    1.23800e+04    1.03771e+03   -2.95938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53941e+03    1.03911e+05    2.82936e+05   -1.72017e+04   -2.15940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20088e+04   -1.73719e+06    3.45946e+05   -1.39124e+06   -3.81066e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10473e+02   -2.12297e+02    1.11740e+02    3.47951e-06

           Step           Time
      228145000   456290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71318e+03    1.82727e+04    1.20946e+04    1.09440e+03   -2.93273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50794e+03    1.04111e+05    2.79813e+05   -1.72077e+04   -2.15741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20744e+04   -1.73787e+06    3.46934e+05   -1.39094e+06   -3.80536e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11360e+02   -2.12445e+02   -7.94504e+01    3.66277e-06

           Step           Time
      228150000   456300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46918e+03    1.81072e+04    1.23341e+04    1.10056e+03   -2.78060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49425e+03    1.03764e+05    2.80922e+05   -1.71993e+04   -2.15750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20792e+04   -1.73721e+06    3.47432e+05   -1.38978e+06   -3.80594e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11807e+02   -2.12237e+02   -1.02718e+01    3.69410e-06

           Step           Time
      228155000   456310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71232e+03    1.81291e+04    1.21508e+04    1.05780e+03   -2.88528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38475e+03    1.03405e+05    2.80575e+05   -1.71621e+04   -2.15696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20196e+04   -1.73758e+06    3.45714e+05   -1.39186e+06   -3.79626e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10265e+02   -2.11321e+02   -5.68548e+01    3.60916e-06

           Step           Time
      228160000   456320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48006e+03    1.81952e+04    1.23646e+04    1.09827e+03   -2.82805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51963e+03    1.03996e+05    2.80156e+05   -1.71933e+04   -2.15578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19172e+04   -1.73608e+06    3.48288e+05   -1.38779e+06   -3.79730e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12575e+02   -2.12090e+02   -3.12436e+01    3.64146e-06

           Step           Time
      228165000   456330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36483e+03    1.83323e+04    1.23539e+04    1.05877e+03   -2.94692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54833e+03    1.03350e+05    2.81732e+05   -1.72122e+04   -2.15810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18669e+04   -1.73765e+06    3.45659e+05   -1.39199e+06   -3.79209e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10215e+02   -2.12557e+02    7.37726e+01    3.67229e-06

           Step           Time
      228170000   456340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53593e+03    1.82685e+04    1.24015e+04    1.07480e+03   -2.90400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52271e+03    1.03619e+05    2.84232e+05   -1.71844e+04   -2.15841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20197e+04   -1.73483e+06    3.46315e+05   -1.38851e+06   -3.78831e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10804e+02   -2.11870e+02    9.46305e+01    3.80221e-06

           Step           Time
      228175000   456350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53137e+03    1.81984e+04    1.25623e+04    1.06701e+03   -2.98020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49069e+03    1.03461e+05    2.83039e+05   -1.71850e+04   -2.15553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19576e+04   -1.73338e+06    3.48666e+05   -1.38472e+06   -3.79015e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12914e+02   -2.11885e+02    1.20845e+02    3.66056e-06

           Step           Time
      228180000   456360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42181e+03    1.83804e+04    1.24097e+04    1.05500e+03   -3.00554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37159e+03    1.03343e+05    2.82459e+05   -1.72159e+04   -2.15758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22557e+04   -1.73610e+06    3.44636e+05   -1.39147e+06   -3.78122e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09297e+02   -2.12647e+02    7.11311e+00    3.49955e-06

           Step           Time
      228185000   456370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53976e+03    1.76877e+04    1.22469e+04    1.13827e+03   -2.90758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53677e+03    1.04132e+05    2.83254e+05   -1.72176e+04   -2.16188e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19330e+04   -1.73954e+06    3.45229e+05   -1.39431e+06   -3.77988e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09830e+02   -2.12688e+02    1.31090e+02    3.62494e-06

           Step           Time
      228190000   456380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33450e+03    1.84333e+04    1.23245e+04    1.06102e+03   -2.87532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46437e+03    1.03610e+05    2.79483e+05   -1.71777e+04   -2.15261e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20479e+04   -1.73390e+06    3.44836e+05   -1.38907e+06   -3.77876e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09477e+02   -2.11706e+02   -1.57451e+01    3.45730e-06

           Step           Time
      228195000   456390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50958e+03    1.80973e+04    1.23818e+04    1.10399e+03   -2.95504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61804e+03    1.03262e+05    2.77924e+05   -1.71463e+04   -2.15123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21164e+04   -1.73431e+06    3.46258e+05   -1.38806e+06   -3.77284e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10753e+02   -2.10934e+02   -8.95076e+01    3.65227e-06

           Step           Time
      228200000   456400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56635e+03    1.84211e+04    1.22497e+04    1.06283e+03   -2.99722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52227e+03    1.03518e+05    2.80459e+05   -1.72142e+04   -2.15561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19725e+04   -1.73605e+06    3.46674e+05   -1.38938e+06   -3.76762e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11126e+02   -2.12605e+02   -8.14570e+00    3.66653e-06

           Step           Time
      228205000   456410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45824e+03    1.83958e+04    1.23899e+04    1.07619e+03   -2.88859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55818e+03    1.03993e+05    2.81631e+05   -1.71548e+04   -2.15415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19131e+04   -1.73278e+06    3.44740e+05   -1.38804e+06   -3.76454e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09391e+02   -2.11143e+02    8.92116e+01    3.61464e-06

           Step           Time
      228210000   456420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50727e+03    1.83347e+04    1.25073e+04    1.07906e+03   -2.98782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49258e+03    1.03576e+05    2.83551e+05   -1.72293e+04   -2.16022e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20449e+04   -1.73734e+06    3.46528e+05   -1.39081e+06   -3.75959e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10995e+02   -2.12977e+02    1.34604e+02    3.45194e-06

           Step           Time
      228215000   456430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55000e+03    1.81522e+04    1.24145e+04    1.12155e+03   -2.85575e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59296e+03    1.03872e+05    2.79710e+05   -1.71837e+04   -2.15172e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21617e+04   -1.73218e+06    3.47802e+05   -1.38438e+06   -3.76030e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12139e+02   -2.11853e+02   -1.45858e+01    3.52614e-06

           Step           Time
      228220000   456440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35504e+03    1.84257e+04    1.24531e+04    1.06165e+03   -2.97398e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59006e+03    1.03917e+05    2.79489e+05   -1.72407e+04   -2.15384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19792e+04   -1.73478e+06    3.46070e+05   -1.38871e+06   -3.75510e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10585e+02   -2.13260e+02    1.04556e+02    3.44297e-06

           Step           Time
      228225000   456450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41874e+03    1.82591e+04    1.22080e+04    1.17061e+03   -3.01995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62551e+03    1.03805e+05    2.81949e+05   -1.71872e+04   -2.15739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22013e+04   -1.73596e+06    3.46197e+05   -1.38977e+06   -3.75434e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10699e+02   -2.11941e+02    8.13415e+01    3.74431e-06

           Step           Time
      228230000   456460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32321e+03    1.83811e+04    1.22799e+04    1.10237e+03   -2.90364e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51694e+03    1.03606e+05    2.82254e+05   -1.72214e+04   -2.15796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19389e+04   -1.73669e+06    3.47428e+05   -1.38926e+06   -3.75075e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11803e+02   -2.12783e+02    1.17040e+02    3.64994e-06

           Step           Time
      228235000   456470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72959e+03    1.86392e+04    1.25151e+04    1.14219e+03   -2.90088e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54237e+03    1.03512e+05    2.80296e+05   -1.71877e+04   -2.15431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21721e+04   -1.73385e+06    3.46947e+05   -1.38691e+06   -3.74509e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11371e+02   -2.11953e+02   -2.34674e+01    3.70325e-06

           Step           Time
      228240000   456480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58060e+03    1.83662e+04    1.24387e+04    9.89661e+02   -2.92243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41397e+03    1.03610e+05    2.81141e+05   -1.71750e+04   -2.15650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19605e+04   -1.73610e+06    3.46014e+05   -1.39008e+06   -3.74774e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10534e+02   -2.11640e+02   -1.94905e+01    3.52323e-06

           Step           Time
      228245000   456490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77126e+03    1.82644e+04    1.23747e+04    1.10731e+03   -2.91210e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48374e+03    1.03974e+05    2.79726e+05   -1.71841e+04   -2.15293e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21307e+04   -1.73319e+06    3.46994e+05   -1.38620e+06   -3.74378e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11413e+02   -2.11865e+02   -3.40316e+01    3.60101e-06

           Step           Time
      228250000   456500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59480e+03    1.81304e+04    1.24721e+04    1.04615e+03   -3.01225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44209e+03    1.04086e+05    2.80967e+05   -1.72006e+04   -2.15614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20431e+04   -1.73557e+06    3.48622e+05   -1.38695e+06   -3.74198e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12875e+02   -2.12270e+02   -1.55600e+01    3.65633e-06

           Step           Time
      228255000   456510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54473e+03    1.84123e+04    1.23986e+04    1.11087e+03   -2.89586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41887e+03    1.03721e+05    2.79776e+05   -1.72011e+04   -2.15293e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20171e+04   -1.73363e+06    3.46936e+05   -1.38669e+06   -3.74174e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11362e+02   -2.12282e+02   -6.95132e+01    3.58744e-06

           Step           Time
      228260000   456520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75251e+03    1.80120e+04    1.22664e+04    1.11621e+03   -2.87049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41209e+03    1.03428e+05    2.79707e+05   -1.71915e+04   -2.15331e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18973e+04   -1.73478e+06    3.47153e+05   -1.38763e+06   -3.74119e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11556e+02   -2.12046e+02   -3.75187e+01    3.49278e-06

           Step           Time
      228265000   456530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49860e+03    1.83341e+04    1.22216e+04    9.87969e+02   -2.93550e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48579e+03    1.03840e+05    2.81032e+05   -1.71963e+04   -2.15607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18585e+04   -1.73594e+06    3.48078e+05   -1.38786e+06   -3.73581e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12387e+02   -2.12165e+02    2.26732e+01    3.56457e-06

           Step           Time
      228270000   456540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54898e+03    1.76688e+04    1.25073e+04    1.15560e+03   -2.87080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50545e+03    1.03879e+05    2.80026e+05   -1.71740e+04   -2.15230e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17917e+04   -1.73326e+06    3.45870e+05   -1.38739e+06   -3.73249e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10405e+02   -2.11614e+02    7.65564e+00    3.80956e-06

           Step           Time
      228275000   456550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51850e+03    1.80689e+04    1.23343e+04    1.08074e+03   -2.92904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52802e+03    1.03406e+05    2.81833e+05   -1.71983e+04   -2.15594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19544e+04   -1.73535e+06    3.46699e+05   -1.38865e+06   -3.73172e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11149e+02   -2.12215e+02    5.08720e+01    3.63072e-06

           Step           Time
      228280000   456560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52137e+03    1.83832e+04    1.26604e+04    1.05802e+03   -2.85264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51721e+03    1.03608e+05    2.82695e+05   -1.71526e+04   -2.15790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20528e+04   -1.73540e+06    3.45658e+05   -1.38975e+06   -3.72346e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10215e+02   -2.11088e+02    4.26170e+01    3.63479e-06

           Step           Time
      228285000   456570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61457e+03    1.81161e+04    1.22204e+04    1.08961e+03   -2.85676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53171e+03    1.03290e+05    2.81529e+05   -1.71856e+04   -2.15578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18792e+04   -1.73556e+06    3.46214e+05   -1.38934e+06   -3.72334e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10714e+02   -2.11900e+02    3.07465e+01    3.70709e-06

           Step           Time
      228290000   456580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43150e+03    1.81595e+04    1.23551e+04    1.03688e+03   -2.93242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52704e+03    1.03570e+05    2.83839e+05   -1.72001e+04   -2.15906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19469e+04   -1.73633e+06    3.46169e+05   -1.39016e+06   -3.72189e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10673e+02   -2.12257e+02    1.56527e+02    3.63855e-06

           Step           Time
      228295000   456590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36090e+03    1.79970e+04    1.23087e+04    1.00198e+03   -3.01836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49962e+03    1.03843e+05    2.81414e+05   -1.71858e+04   -2.15674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19149e+04   -1.73661e+06    3.46474e+05   -1.39013e+06   -3.72201e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10947e+02   -2.11907e+02    5.00475e+01    3.66066e-06

           Step           Time
      228300000   456600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43930e+03    1.85321e+04    1.25609e+04    1.03920e+03   -3.02155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59607e+03    1.03585e+05    2.81061e+05   -1.71868e+04   -2.15354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19314e+04   -1.73301e+06    3.46464e+05   -1.38654e+06   -3.71498e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10938e+02   -2.11931e+02    4.70474e+01    3.60646e-06

           Step           Time
      228305000   456610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44024e+03    1.78854e+04    1.24658e+04    1.00585e+03   -3.03460e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55147e+03    1.04134e+05    2.80326e+05   -1.71647e+04   -2.15543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18533e+04   -1.73596e+06    3.46110e+05   -1.38986e+06   -3.71374e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10620e+02   -2.11386e+02   -3.88440e+01    3.54801e-06

           Step           Time
      228310000   456620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81709e+03    1.85887e+04    1.23450e+04    1.08048e+03   -3.01139e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38797e+03    1.03583e+05    2.80881e+05   -1.72024e+04   -2.15564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19131e+04   -1.73525e+06    3.47823e+05   -1.38743e+06   -3.71028e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12158e+02   -2.12315e+02   -2.06917e+01    3.54979e-06

           Step           Time
      228315000   456630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30707e+03    1.83712e+04    1.22510e+04    1.08012e+03   -2.97058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46175e+03    1.03713e+05    2.80024e+05   -1.71987e+04   -2.15293e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20540e+04   -1.73384e+06    3.46860e+05   -1.38698e+06   -3.71136e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11293e+02   -2.12222e+02    5.15129e+01    3.71051e-06

           Step           Time
      228320000   456640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67415e+03    1.82361e+04    1.25815e+04    1.13739e+03   -2.87874e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46942e+03    1.03562e+05    2.78998e+05   -1.71713e+04   -2.14988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21565e+04   -1.73112e+06    3.47175e+05   -1.38394e+06   -3.70410e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11576e+02   -2.11548e+02    1.45593e+01    3.57172e-06

           Step           Time
      228325000   456650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51886e+03    1.82962e+04    1.25303e+04    1.05099e+03   -2.96717e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56053e+03    1.03389e+05    2.81865e+05   -1.71767e+04   -2.15687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18500e+04   -1.73595e+06    3.45419e+05   -1.39053e+06   -3.70124e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10000e+02   -2.11682e+02    3.93780e+01    3.66481e-06

           Step           Time
      228330000   456660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77120e+03    1.82464e+04    1.23047e+04    1.11744e+03   -2.90756e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37095e+03    1.03578e+05    2.82366e+05   -1.71953e+04   -2.15519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22683e+04   -1.73327e+06    3.45988e+05   -1.38728e+06   -3.69982e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10511e+02   -2.12138e+02    6.37397e+01    3.43719e-06

           Step           Time
      228335000   456670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48299e+03    1.83715e+04    1.23477e+04    1.13568e+03   -2.95619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41975e+03    1.03809e+05    2.80488e+05   -1.72047e+04   -2.15575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19664e+04   -1.73589e+06    3.46464e+05   -1.38942e+06   -3.69369e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10938e+02   -2.12370e+02   -3.41417e+01    3.50100e-06

           Step           Time
      228340000   456680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39041e+03    1.80755e+04    1.24020e+04    1.08189e+03   -2.95386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55164e+03    1.03593e+05    2.78761e+05   -1.71695e+04   -2.15192e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20039e+04   -1.73419e+06    3.44970e+05   -1.38922e+06   -3.69239e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09597e+02   -2.11504e+02   -4.05379e+01    3.64799e-06

           Step           Time
      228345000   456690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32706e+03    1.84903e+04    1.24107e+04    1.07857e+03   -2.86597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46178e+03    1.03760e+05    2.81881e+05   -1.72060e+04   -2.15720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18904e+04   -1.73598e+06    3.46040e+05   -1.38994e+06   -3.68752e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10557e+02   -2.12403e+02    6.95649e+01    3.58184e-06

           Step           Time
      228350000   456700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48802e+03    1.83793e+04    1.23954e+04    1.07598e+03   -2.99774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59261e+03    1.03115e+05    2.79746e+05   -1.72183e+04   -2.15503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19894e+04   -1.73646e+06    3.46579e+05   -1.38989e+06   -3.68859e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11041e+02   -2.12706e+02   -2.45778e+01    3.61914e-06

           Step           Time
      228355000   456710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50755e+03    1.83346e+04    1.23553e+04    1.11731e+03   -2.92346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47023e+03    1.03466e+05    2.80621e+05   -1.71664e+04   -2.15289e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20481e+04   -1.73306e+06    3.46469e+05   -1.38659e+06   -3.68341e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10943e+02   -2.11429e+02   -1.41930e+01    3.65486e-06

Writing checkpoint, step 228356400 at Fri Dec  1 21:08:07 2023


           Step           Time
      228360000   456720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58146e+03    1.84265e+04    1.22948e+04    1.12740e+03   -2.80848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48932e+03    1.03682e+05    2.79457e+05   -1.71936e+04   -2.15243e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19976e+04   -1.73338e+06    3.46934e+05   -1.38644e+06   -3.67979e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11360e+02   -2.12098e+02   -3.65914e+01    3.58150e-06

           Step           Time
      228365000   456730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51519e+03    1.83303e+04    1.23884e+04    9.77190e+02   -3.00873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53525e+03    1.03694e+05    2.82322e+05   -1.72197e+04   -2.15824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21099e+04   -1.73659e+06    3.45486e+05   -1.39111e+06   -3.67022e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10061e+02   -2.12742e+02    9.49007e+01    3.43500e-06

           Step           Time
      228370000   456740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56902e+03    1.82667e+04    1.23257e+04    1.06818e+03   -2.93493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53731e+03    1.03537e+05    2.84214e+05   -1.71892e+04   -2.15923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21255e+04   -1.73571e+06    3.47702e+05   -1.38801e+06   -3.67336e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12049e+02   -2.11990e+02    1.41915e+02    3.83760e-06

           Step           Time
      228375000   456750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29019e+03    1.82437e+04    1.25389e+04    1.16408e+03   -2.88028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49771e+03    1.03833e+05    2.82060e+05   -1.71743e+04   -2.15599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20969e+04   -1.73432e+06    3.45037e+05   -1.38929e+06   -3.66620e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09658e+02   -2.11623e+02    1.98748e+01    3.56761e-06

           Step           Time
      228380000   456760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67178e+03    1.82756e+04    1.22549e+04    1.07100e+03   -2.96049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48600e+03    1.03622e+05    2.80394e+05   -1.72005e+04   -2.15495e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20651e+04   -1.73528e+06    3.46866e+05   -1.38841e+06   -3.66369e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11299e+02   -2.12269e+02   -3.82489e+01    3.54885e-06

           Step           Time
      228385000   456770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48052e+03    1.84112e+04    1.27198e+04    1.10765e+03   -2.98699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36840e+03    1.03721e+05    2.80619e+05   -1.72001e+04   -2.15509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20601e+04   -1.73479e+06    3.45712e+05   -1.38908e+06   -3.66362e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10263e+02   -2.12258e+02   -3.77012e+01    3.54390e-06

           Step           Time
      228390000   456780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39476e+03    1.82909e+04    1.23937e+04    1.11077e+03   -2.92701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49999e+03    1.04026e+05    2.81997e+05   -1.72059e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18622e+04   -1.73430e+06    3.46856e+05   -1.38744e+06   -3.66515e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11290e+02   -2.12401e+02    9.68858e+01    3.68785e-06

           Step           Time
      228395000   456790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43100e+03    1.84202e+04    1.25297e+04    1.02107e+03   -2.97131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62052e+03    1.03458e+05    2.80339e+05   -1.71787e+04   -2.15437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18866e+04   -1.73481e+06    3.45155e+05   -1.38966e+06   -3.65696e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09763e+02   -2.11730e+02    1.37428e+01    3.61150e-06

           Step           Time
      228400000   456800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26032e+03    1.82703e+04    1.25132e+04    1.08569e+03   -2.93573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54518e+03    1.03847e+05    2.82631e+05   -1.71671e+04   -2.15780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20275e+04   -1.73573e+06    3.45935e+05   -1.38979e+06   -3.65726e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10463e+02   -2.11446e+02    5.05639e+01    3.63365e-06

           Step           Time
      228405000   456810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60997e+03    1.79387e+04    1.23846e+04    1.19290e+03   -3.05785e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55548e+03    1.04200e+05    2.79960e+05   -1.71709e+04   -2.15604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18594e+04   -1.73657e+06    3.45414e+05   -1.39115e+06   -3.64950e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09996e+02   -2.11539e+02   -6.74319e+01    3.53036e-06

           Step           Time
      228410000   456820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59147e+03    1.81539e+04    1.25226e+04    1.11630e+03   -2.78308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61427e+03    1.04152e+05    2.79089e+05   -1.71682e+04   -2.15144e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20241e+04   -1.73213e+06    3.47669e+05   -1.38446e+06   -3.64794e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12020e+02   -2.11472e+02   -3.46905e+01    3.67942e-06

           Step           Time
      228415000   456830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71086e+03    1.81430e+04    1.25164e+04    1.06152e+03   -2.92169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53426e+03    1.03621e+05    2.79491e+05   -1.71885e+04   -2.15197e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21814e+04   -1.73282e+06    3.45180e+05   -1.38764e+06   -3.64395e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09785e+02   -2.11972e+02   -4.14859e+01    3.64379e-06

           Step           Time
      228420000   456840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44540e+03    1.82956e+04    1.24538e+04    1.09262e+03   -2.94175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53842e+03    1.03138e+05    2.83953e+05   -1.72357e+04   -2.15920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18886e+04   -1.73657e+06    3.46862e+05   -1.38971e+06   -3.64284e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11295e+02   -2.13136e+02    1.30842e+02    3.71893e-06

           Step           Time
      228425000   456850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29565e+03    1.80308e+04    1.25870e+04    1.04846e+03   -2.97756e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48409e+03    1.03565e+05    2.79570e+05   -1.71902e+04   -2.15459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20318e+04   -1.73615e+06    3.45773e+05   -1.39037e+06   -3.64285e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10318e+02   -2.12013e+02   -1.90499e+01    3.53488e-06

           Step           Time
      228430000   456860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51119e+03    1.83421e+04    1.24662e+04    9.90353e+02   -2.90527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46069e+03    1.03782e+05    2.84539e+05   -1.72291e+04   -2.16149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19626e+04   -1.73757e+06    3.46889e+05   -1.39068e+06   -3.63412e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11320e+02   -2.12973e+02    1.37390e+02    3.65009e-06

           Step           Time
      228435000   456870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57180e+03    1.85967e+04    1.23270e+04    1.11570e+03   -2.82272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47398e+03    1.03851e+05    2.81897e+05   -1.71833e+04   -2.15641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19564e+04   -1.73463e+06    3.47602e+05   -1.38703e+06   -3.63336e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11960e+02   -2.11843e+02    3.89731e+01    3.52239e-06

           Step           Time
      228440000   456880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70447e+03    1.80606e+04    1.24574e+04    1.00785e+03   -2.96405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50706e+03    1.03612e+05    2.83386e+05   -1.72196e+04   -2.15846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21235e+04   -1.73578e+06    3.48615e+05   -1.38717e+06   -3.63309e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12868e+02   -2.12739e+02    1.78596e+02    3.69561e-06

           Step           Time
      228445000   456890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35665e+03    1.82193e+04    1.23509e+04    1.12413e+03   -2.98978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42959e+03    1.03938e+05    2.80234e+05   -1.71902e+04   -2.15521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19163e+04   -1.73582e+06    3.46341e+05   -1.38948e+06   -3.62738e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10827e+02   -2.12015e+02    5.75822e+00    3.64393e-06

           Step           Time
      228450000   456900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60600e+03    1.84207e+04    1.24323e+04    1.05370e+03   -2.86589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51302e+03    1.03915e+05    2.77448e+05   -1.71548e+04   -2.15044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21055e+04   -1.73297e+06    3.46797e+05   -1.38617e+06   -3.62230e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11237e+02   -2.11143e+02   -1.49893e+02    3.57907e-06

           Step           Time
      228455000   456910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39408e+03    1.85336e+04    1.26359e+04    1.11233e+03   -2.99824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49745e+03    1.03424e+05    2.80441e+05   -1.71858e+04   -2.15378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20037e+04   -1.73392e+06    3.47645e+05   -1.38628e+06   -3.62476e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11998e+02   -2.11905e+02    1.64934e+00    3.53984e-06

           Step           Time
      228460000   456920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52747e+03    1.83518e+04    1.24449e+04    1.02710e+03   -2.97245e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51958e+03    1.03858e+05    2.81960e+05   -1.72668e+04   -2.15714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17376e+04   -1.73595e+06    3.45493e+05   -1.39046e+06   -3.61328e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10066e+02   -2.13904e+02    1.04741e+02    3.56213e-06

           Step           Time
      228465000   456930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60086e+03    1.79454e+04    1.23573e+04    1.14062e+03   -2.89691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42665e+03    1.04003e+05    2.76999e+05   -1.71712e+04   -2.14928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19365e+04   -1.73294e+06    3.47583e+05   -1.38536e+06   -3.61504e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11942e+02   -2.11545e+02   -1.26139e+02    3.84100e-06

           Step           Time
      228470000   456940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45710e+03    1.82807e+04    1.24782e+04    1.08897e+03   -2.88966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44553e+03    1.03799e+05    2.81306e+05   -1.72306e+04   -2.15514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18462e+04   -1.73456e+06    3.46535e+05   -1.38803e+06   -3.61064e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11002e+02   -2.13011e+02    5.29656e+01    3.65344e-06

           Step           Time
      228475000   456950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53200e+03    1.80779e+04    1.26051e+04    1.11278e+03   -2.96092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53812e+03    1.03666e+05    2.81334e+05   -1.71621e+04   -2.15604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20469e+04   -1.73525e+06    3.46146e+05   -1.38911e+06   -3.60695e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10653e+02   -2.11323e+02    3.32370e+01    3.59163e-06

           Step           Time
      228480000   456960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37054e+03    1.83386e+04    1.22728e+04    1.04906e+03   -2.88414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55329e+03    1.04113e+05    2.81124e+05   -1.72010e+04   -2.15428e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20175e+04   -1.73353e+06    3.47210e+05   -1.38632e+06   -3.60379e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11608e+02   -2.12280e+02    8.38645e+01    3.50142e-06

           Step           Time
      228485000   456970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63432e+03    1.78280e+04    1.24483e+04    1.04890e+03   -2.95988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41648e+03    1.03881e+05    2.80930e+05   -1.72249e+04   -2.15813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18950e+04   -1.73823e+06    3.46450e+05   -1.39178e+06   -3.60356e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10925e+02   -2.12868e+02   -7.55110e+01    3.42119e-06

           Step           Time
      228490000   456980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51963e+03    1.78913e+04    1.23451e+04    1.06099e+03   -2.94213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58726e+03    1.04207e+05    2.81589e+05   -1.72082e+04   -2.15645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20716e+04   -1.73533e+06    3.46866e+05   -1.38847e+06   -3.60055e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11299e+02   -2.12457e+02    9.19124e+01    3.63877e-06

           Step           Time
      228495000   456990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39943e+03    1.83418e+04    1.25354e+04    1.07094e+03   -2.98958e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51383e+03    1.03764e+05    2.78687e+05   -1.71528e+04   -2.15105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19234e+04   -1.73296e+06    3.46513e+05   -1.38645e+06   -3.59769e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10982e+02   -2.11093e+02   -8.18902e+01    3.58054e-06

           Step           Time
      228500000   457000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46173e+03    1.83011e+04    1.24297e+04    1.13376e+03   -2.81040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48010e+03    1.04012e+05    2.82905e+05   -1.71957e+04   -2.15532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21324e+04   -1.73247e+06    3.46975e+05   -1.38550e+06   -3.59004e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11397e+02   -2.12148e+02    1.19395e+02    3.57319e-06

           Step           Time
      228505000   457010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51501e+03    1.82222e+04    1.23781e+04    1.10269e+03   -2.97872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44120e+03    1.03861e+05    2.80630e+05   -1.71599e+04   -2.15480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20345e+04   -1.73475e+06    3.47666e+05   -1.38709e+06   -3.59138e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12017e+02   -2.11267e+02    2.03625e+01    3.63563e-06

           Step           Time
      228510000   457020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61338e+03    1.82011e+04    1.24918e+04    1.08350e+03   -2.90074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42737e+03    1.04509e+05    2.80722e+05   -1.71962e+04   -2.15606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18804e+04   -1.73523e+06    3.47195e+05   -1.38804e+06   -3.58661e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11594e+02   -2.12161e+02   -1.01584e+01    3.58315e-06

           Step           Time
      228515000   457030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68080e+03    1.78809e+04    1.23898e+04    1.07290e+03   -2.96759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46186e+03    1.04183e+05    2.79885e+05   -1.71641e+04   -2.15568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19764e+04   -1.73628e+06    3.45547e+05   -1.39073e+06   -3.58968e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10115e+02   -2.11370e+02   -9.12053e+01    3.48370e-06

           Step           Time
      228520000   457040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56585e+03    1.85776e+04    1.24624e+04    1.07279e+03   -2.90757e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50226e+03    1.03612e+05    2.79156e+05   -1.72040e+04   -2.15343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18772e+04   -1.73472e+06    3.47251e+05   -1.38747e+06   -3.57878e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11644e+02   -2.12353e+02   -3.45721e+01    3.56836e-06

           Step           Time
      228525000   457050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67765e+03    1.83759e+04    1.24270e+04    1.01981e+03   -3.00078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42271e+03    1.03598e+05    2.83648e+05   -1.72096e+04   -2.15878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21710e+04   -1.73565e+06    3.47885e+05   -1.38776e+06   -3.57791e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12213e+02   -2.12492e+02    1.39615e+02    3.72035e-06

           Step           Time
      228530000   457060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43249e+03    1.78511e+04    1.23879e+04    1.02234e+03   -2.90012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50268e+03    1.04315e+05    2.78344e+05   -1.71491e+04   -2.15191e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20331e+04   -1.73407e+06    3.46579e+05   -1.38749e+06   -3.57968e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11041e+02   -2.11002e+02   -7.90238e+01    3.55340e-06

           Step           Time
      228535000   457070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57354e+03    1.82113e+04    1.24114e+04    1.04772e+03   -2.86900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58152e+03    1.04251e+05    2.77268e+05   -1.71754e+04   -2.15115e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19484e+04   -1.73390e+06    3.48154e+05   -1.38574e+06   -3.57358e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12454e+02   -2.11650e+02   -1.59301e+02    3.69747e-06

           Step           Time
      228540000   457080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38586e+03    1.81859e+04    1.24776e+04    1.10705e+03   -3.01265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49627e+03    1.04199e+05    2.78369e+05   -1.71866e+04   -2.15350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20876e+04   -1.73539e+06    3.46561e+05   -1.38883e+06   -3.57051e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11025e+02   -2.11926e+02   -9.12994e+01    3.61299e-06

           Step           Time
      228545000   457090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40543e+03    1.83469e+04    1.25194e+04    1.10126e+03   -2.98311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49933e+03    1.03865e+05    2.81628e+05   -1.72223e+04   -2.15616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17024e+04   -1.73529e+06    3.46394e+05   -1.38890e+06   -3.56809e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10875e+02   -2.12804e+02    4.38709e+01    3.69692e-06

           Step           Time
      228550000   457100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43633e+03    1.80470e+04    1.23941e+04    1.08220e+03   -3.01090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53416e+03    1.04170e+05    2.78485e+05   -1.72126e+04   -2.15366e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19825e+04   -1.73575e+06    3.46494e+05   -1.38925e+06   -3.56628e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10965e+02   -2.12566e+02   -1.90312e+01    3.69278e-06

           Step           Time
      228555000   457110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61221e+03    1.82402e+04    1.24130e+04    1.09142e+03   -2.90478e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46440e+03    1.04266e+05    2.79853e+05   -1.72122e+04   -2.15472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18843e+04   -1.73501e+06    3.46977e+05   -1.38803e+06   -3.56086e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11398e+02   -2.12557e+02   -3.10585e+01    3.52926e-06

           Step           Time
      228560000   457120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31298e+03    1.80671e+04    1.25348e+04    1.02473e+03   -3.04880e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50750e+03    1.04605e+05    2.80935e+05   -1.71771e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18711e+04   -1.73456e+06    3.47900e+05   -1.38666e+06   -3.56336e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12227e+02   -2.11690e+02    4.44903e+01    3.63651e-06

           Step           Time
      228565000   457130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50314e+03    1.81344e+04    1.23234e+04    1.13350e+03   -2.95127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44559e+03    1.03901e+05    2.80536e+05   -1.71853e+04   -2.15615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20684e+04   -1.73624e+06    3.45007e+05   -1.39123e+06   -3.55455e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09630e+02   -2.11892e+02   -1.53371e+01    3.59317e-06

           Step           Time
      228570000   457140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51686e+03    1.82859e+04    1.22887e+04    1.12588e+03   -2.97118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44740e+03    1.04311e+05    2.81211e+05   -1.71408e+04   -2.15335e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20390e+04   -1.73224e+06    3.46368e+05   -1.38587e+06   -3.55198e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10852e+02   -2.10798e+02    1.35930e+01    3.70324e-06

           Step           Time
      228575000   457150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84300e+03    1.83488e+04    1.22737e+04    1.08782e+03   -2.83040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36220e+03    1.04025e+05    2.82589e+05   -1.72140e+04   -2.15800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19797e+04   -1.73554e+06    3.45638e+05   -1.38990e+06   -3.54748e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10197e+02   -2.12601e+02    4.53452e+01    3.61050e-06

           Step           Time
      228580000   457160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56344e+03    1.80589e+04    1.25396e+04    1.06184e+03   -2.95036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55787e+03    1.04090e+05    2.83095e+05   -1.72046e+04   -2.15796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20929e+04   -1.73505e+06    3.49658e+05   -1.38539e+06   -3.54795e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13804e+02   -2.12368e+02    1.27424e+02    3.70414e-06

           Step           Time
      228585000   457170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64835e+03    1.82026e+04    1.22680e+04    1.08991e+03   -2.88752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41811e+03    1.04206e+05    2.80395e+05   -1.71438e+04   -2.15476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20596e+04   -1.73450e+06    3.45863e+05   -1.38864e+06   -3.53952e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10398e+02   -2.10873e+02   -1.31031e+02    3.62942e-06

           Step           Time
      228590000   457180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44606e+03    1.78016e+04    1.24870e+04    1.04258e+03   -2.95494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66741e+03    1.04446e+05    2.81509e+05   -1.71991e+04   -2.15772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19945e+04   -1.73648e+06    3.46083e+05   -1.39040e+06   -3.54034e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10596e+02   -2.12234e+02    9.83482e+01    3.56089e-06

           Step           Time
      228595000   457190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57976e+03    1.82690e+04    1.23460e+04    9.68814e+02   -2.94357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42793e+03    1.03903e+05    2.80143e+05   -1.71648e+04   -2.15382e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21907e+04   -1.73410e+06    3.46199e+05   -1.38790e+06   -3.53608e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10700e+02   -2.11388e+02   -4.24051e+01    3.48343e-06

           Step           Time
      228600000   457200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34708e+03    1.79964e+04    1.26187e+04    9.83013e+02   -2.96682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52112e+03    1.04528e+05    2.83797e+05   -1.72425e+04   -2.15946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19629e+04   -1.73591e+06    3.45855e+05   -1.39006e+06   -3.52972e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10391e+02   -2.13304e+02    2.43151e+02    3.60834e-06

           Step           Time
      228605000   457210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55475e+03    1.82148e+04    1.26526e+04    1.06559e+03   -2.96127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45424e+03    1.04105e+05    2.82695e+05   -1.71851e+04   -2.15915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19622e+04   -1.73659e+06    3.46373e+05   -1.39022e+06   -3.52905e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10857e+02   -2.11888e+02    1.37296e+01    3.65246e-06

           Step           Time
      228610000   457220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.17266e+03    1.86883e+04    1.24435e+04    1.14779e+03   -2.93129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48401e+03    1.03831e+05    2.78071e+05   -1.71574e+04   -2.15072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21053e+04   -1.73287e+06    3.45919e+05   -1.38695e+06   -3.52521e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10449e+02   -2.11206e+02   -7.98078e+01    3.63706e-06

           Step           Time
      228615000   457230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48185e+03    1.83500e+04    1.25155e+04    1.07398e+03   -2.90487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32900e+03    1.03959e+05    2.78330e+05   -1.72262e+04   -2.15362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19653e+04   -1.73575e+06    3.44574e+05   -1.39117e+06   -3.52312e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09242e+02   -2.12903e+02   -1.06529e+02    3.65960e-06

           Step           Time
      228620000   457240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58115e+03    1.83374e+04    1.23448e+04    1.11708e+03   -2.80535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46971e+03    1.03923e+05    2.80718e+05   -1.71341e+04   -2.15338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20780e+04   -1.73275e+06    3.46045e+05   -1.38670e+06   -3.52155e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10562e+02   -2.10633e+02   -5.07510e+01    3.65355e-06

           Step           Time
      228625000   457250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25336e+03    1.83694e+04    1.23460e+04    1.11965e+03   -2.95593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45894e+03    1.03996e+05    2.82414e+05   -1.72064e+04   -2.15607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20114e+04   -1.73426e+06    3.48152e+05   -1.38611e+06   -3.52018e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12453e+02   -2.12412e+02    1.27550e+02    3.61475e-06

           Step           Time
      228630000   457260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37594e+03    1.80046e+04    1.25301e+04    1.10341e+03   -3.01058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58436e+03    1.04028e+05    2.80833e+05   -1.71592e+04   -2.15348e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19867e+04   -1.73320e+06    3.48076e+05   -1.38513e+06   -3.51934e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12385e+02   -2.11250e+02    5.32713e+01    3.65607e-06

           Step           Time
      228635000   457270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58002e+03    1.80868e+04    1.25782e+04    1.08603e+03   -2.91695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44888e+03    1.04064e+05    2.79825e+05   -1.71623e+04   -2.15285e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18768e+04   -1.73339e+06    3.47931e+05   -1.38546e+06   -3.51610e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12254e+02   -2.11327e+02   -6.39595e+01    3.53050e-06

           Step           Time
      228640000   457280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.19178e+03    1.79844e+04    1.23695e+04    1.06498e+03   -2.85201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57937e+03    1.04101e+05    2.81709e+05   -1.72266e+04   -2.15702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19949e+04   -1.73610e+06    3.47929e+05   -1.38817e+06   -3.51385e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12253e+02   -2.12912e+02    6.95434e+01    3.56311e-06

           Step           Time
      228645000   457290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36892e+03    1.81441e+04    1.24297e+04    1.18008e+03   -2.94966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56534e+03    1.04315e+05    2.82052e+05   -1.71875e+04   -2.15763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19940e+04   -1.73572e+06    3.46684e+05   -1.38903e+06   -3.50225e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11135e+02   -2.11946e+02    4.52232e+01    3.56554e-06

           Step           Time
      228650000   457300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57678e+03    1.81362e+04    1.24793e+04    1.14407e+03   -2.91719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41627e+03    1.03764e+05    2.77966e+05   -1.71842e+04   -2.15196e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19453e+04   -1.73463e+06    3.47197e+05   -1.38744e+06   -3.50406e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11596e+02   -2.11867e+02   -1.10388e+02    3.71442e-06

           Step           Time
      228655000   457310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46988e+03    1.79999e+04    1.23108e+04    1.06606e+03   -2.84096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46027e+03    1.03934e+05    2.82944e+05   -1.72136e+04   -2.15936e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18437e+04   -1.73739e+06    3.45460e+05   -1.39193e+06   -3.49728e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10036e+02   -2.12591e+02    1.28256e+02    3.49648e-06

           Step           Time
      228660000   457320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84523e+03    1.77745e+04    1.24390e+04    1.09750e+03   -2.91852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47759e+03    1.03586e+05    2.79195e+05   -1.71776e+04   -2.15332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18040e+04   -1.73520e+06    3.44115e+05   -1.39108e+06   -3.49500e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08830e+02   -2.11703e+02   -1.24522e+02    3.60996e-06

           Step           Time
      228665000   457330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56850e+03    1.81914e+04    1.24678e+04    1.09435e+03   -2.96571e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51897e+03    1.04212e+05    2.80136e+05   -1.71757e+04   -2.15225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19946e+04   -1.73221e+06    3.46768e+05   -1.38544e+06   -3.49230e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11211e+02   -2.11657e+02    4.30777e+01    3.78494e-06

           Step           Time
      228670000   457340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60478e+03    1.82474e+04    1.23906e+04    1.16704e+03   -2.90698e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39813e+03    1.04153e+05    2.81509e+05   -1.71683e+04   -2.15471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18472e+04   -1.73347e+06    3.47219e+05   -1.38625e+06   -3.48952e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11616e+02   -2.11475e+02    4.20906e+01    3.63188e-06

           Step           Time
      228675000   457350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52573e+03    1.82216e+04    1.24124e+04    1.18327e+03   -2.95809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39085e+03    1.03343e+05    2.82143e+05   -1.72309e+04   -2.15681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19034e+04   -1.73588e+06    3.46106e+05   -1.38977e+06   -3.48436e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10617e+02   -2.13018e+02    2.84732e+01    3.57987e-06

           Step           Time
      228680000   457360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40935e+03    1.79890e+04    1.23793e+04    1.16092e+03   -2.89515e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49810e+03    1.03935e+05    2.80060e+05   -1.71751e+04   -2.15542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20143e+04   -1.73605e+06    3.47140e+05   -1.38891e+06   -3.48494e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11545e+02   -2.11642e+02   -3.95742e+01    3.39517e-06

           Step           Time
      228685000   457370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37506e+03    1.83419e+04    1.23334e+04    1.00214e+03   -2.91867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35793e+03    1.03741e+05    2.82023e+05   -1.72040e+04   -2.15620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20547e+04   -1.73510e+06    3.45394e+05   -1.38970e+06   -3.48042e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09978e+02   -2.12355e+02    2.74575e+01    3.64521e-06

           Step           Time
      228690000   457380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62577e+03    1.85643e+04    1.24978e+04    1.04607e+03   -2.89562e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51995e+03    1.03397e+05    2.82382e+05   -1.71949e+04   -2.15635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18904e+04   -1.73452e+06    3.47252e+05   -1.38727e+06   -3.47384e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11645e+02   -2.12130e+02    1.00147e+02    3.77082e-06

           Step           Time
      228695000   457390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43956e+03    1.84096e+04    1.25271e+04    1.14281e+03   -2.88245e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47168e+03    1.03419e+05    2.78398e+05   -1.71867e+04   -2.15273e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20390e+04   -1.73496e+06    3.45981e+05   -1.38897e+06   -3.47312e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10504e+02   -2.11927e+02   -1.46221e+02    3.53198e-06

           Step           Time
      228700000   457400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58277e+03    1.82252e+04    1.23453e+04    1.19415e+03   -2.95928e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38880e+03    1.03800e+05    2.80901e+05   -1.71575e+04   -2.15387e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19603e+04   -1.73359e+06    3.45046e+05   -1.38854e+06   -3.46965e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09666e+02   -2.11209e+02   -5.14530e+01    3.39694e-06

           Step           Time
      228705000   457410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50710e+03    1.84783e+04    1.22597e+04    1.04999e+03   -2.94389e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43317e+03    1.03840e+05    2.84506e+05   -1.72148e+04   -2.15741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19333e+04   -1.73356e+06    3.46773e+05   -1.38678e+06   -3.46680e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11216e+02   -2.12621e+02    1.90073e+02    3.56249e-06

           Step           Time
      228710000   457420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53695e+03    1.75315e+04    1.23263e+04    1.00821e+03   -2.94187e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57569e+03    1.03796e+05    2.80224e+05   -1.71523e+04   -2.15485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20090e+04   -1.73594e+06    3.45076e+05   -1.39086e+06   -3.46754e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09692e+02   -2.11081e+02    1.07997e-01    3.48922e-06

           Step           Time
      228715000   457430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32342e+03    1.79146e+04    1.26425e+04    1.14257e+03   -2.97062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59993e+03    1.03805e+05    2.81761e+05   -1.71483e+04   -2.15536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19728e+04   -1.73432e+06    3.46854e+05   -1.38746e+06   -3.46418e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11288e+02   -2.10982e+02    5.91871e+01    3.67821e-06

           Step           Time
      228720000   457440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58385e+03    1.82575e+04    1.24064e+04    1.13449e+03   -2.93506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52370e+03    1.03385e+05    2.83847e+05   -1.72035e+04   -2.15808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20876e+04   -1.73500e+06    3.46842e+05   -1.38815e+06   -3.45516e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11277e+02   -2.12340e+02    1.62571e+02    3.62221e-06

           Step           Time
      228725000   457450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43773e+03    1.84897e+04    1.22764e+04    1.00916e+03   -2.98756e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57836e+03    1.03567e+05    2.81854e+05   -1.72479e+04   -2.15714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21191e+04   -1.73604e+06    3.46607e+05   -1.38944e+06   -3.45391e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11067e+02   -2.13439e+02    1.42036e+02    3.61806e-06

           Step           Time
      228730000   457460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63302e+03    1.79625e+04    1.22302e+04    1.06590e+03   -3.00423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37996e+03    1.04425e+05    2.82467e+05   -1.72153e+04   -2.15868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19783e+04   -1.73676e+06    3.45549e+05   -1.39121e+06   -3.45448e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10116e+02   -2.12634e+02    4.45223e+01    3.63906e-06

           Step           Time
      228735000   457470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45912e+03    1.80033e+04    1.24747e+04    1.13511e+03   -2.94678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36356e+03    1.03195e+05    2.79874e+05   -1.71912e+04   -2.15562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18366e+04   -1.73741e+06    3.46120e+05   -1.39129e+06   -3.45380e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10629e+02   -2.12038e+02   -1.26125e+02    3.66021e-06

           Step           Time
      228740000   457480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69594e+03    1.84772e+04    1.22903e+04    1.09033e+03   -2.97244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40013e+03    1.03320e+05    2.80046e+05   -1.71945e+04   -2.15404e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21139e+04   -1.73477e+06    3.45779e+05   -1.38899e+06   -3.44564e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10323e+02   -2.12120e+02   -2.92023e+01    3.61408e-06

           Step           Time
      228745000   457490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43239e+03    1.80694e+04    1.26095e+04    1.12367e+03   -2.82839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48753e+03    1.04009e+05    2.81971e+05   -1.71907e+04   -2.15646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20156e+04   -1.73476e+06    3.46019e+05   -1.38874e+06   -3.44648e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10538e+02   -2.12027e+02    3.64759e+01    3.57961e-06

           Step           Time
      228750000   457500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86704e+03    1.80926e+04    1.25325e+04    1.06607e+03   -2.88862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48666e+03    1.03684e+05    2.80762e+05   -1.71778e+04   -2.15344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20911e+04   -1.73293e+06    3.46434e+05   -1.38650e+06   -3.44194e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10911e+02   -2.11708e+02   -4.53615e+01    3.60059e-06

           Step           Time
      228755000   457510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46802e+03    1.79490e+04    1.26047e+04    1.14784e+03   -2.98978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42786e+03    1.04109e+05    2.83359e+05   -1.72095e+04   -2.15854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20706e+04   -1.73560e+06    3.46305e+05   -1.38929e+06   -3.44319e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10795e+02   -2.12490e+02    9.42122e+01    3.48744e-06

           Step           Time
      228760000   457520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48880e+03    1.84501e+04    1.26614e+04    1.09418e+03   -2.87595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47112e+03    1.03743e+05    2.81608e+05   -1.71829e+04   -2.15800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19417e+04   -1.73660e+06    3.47646e+05   -1.38896e+06   -3.43665e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11998e+02   -2.11835e+02    5.96998e-01    3.38510e-06

           Step           Time
      228765000   457530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60540e+03    1.82075e+04    1.25434e+04    1.03475e+03   -2.87789e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51956e+03    1.03646e+05    2.78556e+05   -1.71832e+04   -2.15276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21127e+04   -1.73459e+06    3.46773e+05   -1.38782e+06   -3.43636e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11215e+02   -2.11842e+02   -5.84764e+01    3.47569e-06

           Step           Time
      228770000   457540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48545e+03    1.83544e+04    1.26401e+04    1.08337e+03   -3.00237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57231e+03    1.03948e+05    2.80054e+05   -1.71869e+04   -2.15430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20014e+04   -1.73435e+06    3.47520e+05   -1.38683e+06   -3.43092e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11885e+02   -2.11933e+02   -3.99941e+01    3.56956e-06

           Step           Time
      228775000   457550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72207e+03    1.82408e+04    1.25731e+04    1.02788e+03   -2.90444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40366e+03    1.03419e+05    2.80645e+05   -1.71863e+04   -2.15342e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20159e+04   -1.73346e+06    3.46064e+05   -1.38740e+06   -3.42796e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10579e+02   -2.11918e+02   -5.65321e+01    3.57834e-06

           Step           Time
      228780000   457560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63137e+03    1.81583e+04    1.23423e+04    1.07329e+03   -2.81880e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39120e+03    1.03900e+05    2.81832e+05   -1.72158e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20415e+04   -1.73573e+06    3.45422e+05   -1.39031e+06   -3.42615e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10003e+02   -2.12645e+02   -1.17499e+01    3.68580e-06

           Step           Time
      228785000   457570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41282e+03    1.82676e+04    1.25943e+04    1.12972e+03   -3.02418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43937e+03    1.03702e+05    2.82597e+05   -1.72327e+04   -2.15765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19002e+04   -1.73587e+06    3.46521e+05   -1.38935e+06   -3.42272e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10989e+02   -2.13062e+02    9.13673e+01    3.61052e-06

           Step           Time
      228790000   457580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67066e+03    1.82508e+04    1.24837e+04    1.14146e+03   -3.00032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32902e+03    1.03362e+05    2.83332e+05   -1.71920e+04   -2.15786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18817e+04   -1.73560e+06    3.46891e+05   -1.38871e+06   -3.42151e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11321e+02   -2.12058e+02   -1.89633e+00    3.69872e-06

           Step           Time
      228795000   457590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48094e+03    1.82024e+04    1.22291e+04    1.05777e+03   -2.86791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54601e+03    1.03287e+05    2.81488e+05   -1.71904e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21039e+04   -1.73672e+06    3.47256e+05   -1.38946e+06   -3.42089e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11648e+02   -2.12019e+02    2.57491e+01    3.63171e-06

           Step           Time
      228800000   457600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56169e+03    1.81819e+04    1.23299e+04    1.05626e+03   -2.85123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56477e+03    1.03254e+05    2.82029e+05   -1.72021e+04   -2.15396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20389e+04   -1.73299e+06    3.47077e+05   -1.38592e+06   -3.41559e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11488e+02   -2.12307e+02    1.28606e+02    3.61859e-06

           Step           Time
      228805000   457610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56660e+03    1.81777e+04    1.23652e+04    1.14325e+03   -2.84709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42585e+03    1.03406e+05    2.82791e+05   -1.71842e+04   -2.15762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21450e+04   -1.73563e+06    3.47522e+05   -1.38811e+06   -3.41989e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11888e+02   -2.11866e+02    6.80495e+01    3.57304e-06

           Step           Time
      228810000   457620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65049e+03    1.84149e+04    1.24649e+04    1.11203e+03   -2.98496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52383e+03    1.03258e+05    2.80651e+05   -1.71833e+04   -2.15534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20215e+04   -1.73541e+06    3.47245e+05   -1.38816e+06   -3.41091e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11639e+02   -2.11843e+02    5.15941e+01    3.54129e-06

           Step           Time
      228815000   457630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53872e+03    1.82479e+04    1.24524e+04    1.06311e+03   -2.90673e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55502e+03    1.03430e+05    2.78424e+05   -1.72241e+04   -2.15266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18835e+04   -1.73519e+06    3.48131e+05   -1.38706e+06   -3.41081e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12434e+02   -2.12849e+02   -5.77545e+01    3.64508e-06

           Step           Time
      228820000   457640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53709e+03    1.81043e+04    1.23960e+04    1.05538e+03   -2.92769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47042e+03    1.03710e+05    2.81574e+05   -1.71842e+04   -2.15566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22886e+04   -1.73463e+06    3.44960e+05   -1.38967e+06   -3.40368e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09588e+02   -2.11867e+02    5.38215e+01    3.68090e-06

           Step           Time
      228825000   457650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47350e+03    1.84223e+04    1.23642e+04    1.03997e+03   -2.93025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47292e+03    1.03584e+05    2.79836e+05   -1.71829e+04   -2.15225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17571e+04   -1.73341e+06    3.44742e+05   -1.38867e+06   -3.40490e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09393e+02   -2.11833e+02   -4.70874e+00    3.52658e-06

           Step           Time
      228830000   457660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57255e+03    1.79869e+04    1.23566e+04    1.07054e+03   -2.91833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46124e+03    1.03886e+05    2.80570e+05   -1.71668e+04   -2.15434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19280e+04   -1.73459e+06    3.46165e+05   -1.38843e+06   -3.40224e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10669e+02   -2.11437e+02   -2.93347e+01    3.49308e-06

           Step           Time
      228835000   457670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63578e+03    1.84298e+04    1.24607e+04    1.09716e+03   -2.96080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48959e+03    1.03681e+05    2.80786e+05   -1.72279e+04   -2.15452e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20306e+04   -1.73409e+06    3.48849e+05   -1.38524e+06   -3.40319e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13079e+02   -2.12943e+02    4.99050e+01    3.62065e-06

           Step           Time
      228840000   457680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69833e+03    1.81983e+04    1.24165e+04    1.05581e+03   -2.96409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46080e+03    1.03796e+05    2.79580e+05   -1.72068e+04   -2.15177e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20236e+04   -1.73271e+06    3.46602e+05   -1.38611e+06   -3.39860e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11062e+02   -2.12424e+02    3.10639e+01    3.65654e-06

           Step           Time
      228845000   457690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35679e+03    1.83092e+04    1.23734e+04    1.09725e+03   -2.93562e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51946e+03    1.03785e+05    2.80148e+05   -1.71895e+04   -2.15428e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21038e+04   -1.73471e+06    3.44038e+05   -1.39067e+06   -3.39595e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08761e+02   -2.11995e+02    5.60693e+00    3.51981e-06

           Step           Time
      228850000   457700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53502e+03    1.85532e+04    1.24911e+04    1.00906e+03   -2.82786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50251e+03    1.03575e+05    2.81401e+05   -1.72076e+04   -2.15412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18124e+04   -1.73327e+06    3.45750e+05   -1.38752e+06   -3.39138e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10297e+02   -2.12443e+02    5.71290e+00    3.61931e-06

           Step           Time
      228855000   457710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58266e+03    1.77459e+04    1.24029e+04    9.89457e+02   -2.83511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45842e+03    1.03927e+05    2.82042e+05   -1.72221e+04   -2.15731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17809e+04   -1.73644e+06    3.46953e+05   -1.38948e+06   -3.39206e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11377e+02   -2.12799e+02    1.72618e+01    3.54172e-06

           Step           Time
      228860000   457720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69458e+03    1.78867e+04    1.22861e+04    1.05808e+03   -2.94385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40046e+03    1.04049e+05    2.84800e+05   -1.71640e+04   -2.15834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18138e+04   -1.73446e+06    3.44410e+05   -1.39005e+06   -3.38676e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09095e+02   -2.11369e+02    1.32493e+02    3.46929e-06

           Step           Time
      228865000   457730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59081e+03    1.84272e+04    1.24800e+04    1.09748e+03   -2.97247e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40683e+03    1.03676e+05    2.79666e+05   -1.71468e+04   -2.15438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20371e+04   -1.73512e+06    3.47993e+05   -1.38712e+06   -3.38229e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12310e+02   -2.10945e+02   -1.30683e+02    3.60032e-06

           Step           Time
      228870000   457740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71449e+03    1.84100e+04    1.24434e+04    1.07135e+03   -2.97344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40835e+03    1.03935e+05    2.80933e+05   -1.72071e+04   -2.15369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21023e+04   -1.73285e+06    3.47481e+05   -1.38537e+06   -3.38152e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11851e+02   -2.12430e+02    6.47779e+00    3.58027e-06

           Step           Time
      228875000   457750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62287e+03    1.80778e+04    1.25079e+04    1.04262e+03   -3.03281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56825e+03    1.04164e+05    2.81508e+05   -1.72000e+04   -2.15828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18697e+04   -1.73715e+06    3.48414e+05   -1.38874e+06   -3.38098e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12688e+02   -2.12255e+02    2.81858e+01    3.64875e-06

           Step           Time
      228880000   457760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45508e+03    1.81334e+04    1.25811e+04    1.00106e+03   -2.96837e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53970e+03    1.03557e+05    2.80799e+05   -1.72586e+04   -2.15571e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18936e+04   -1.73598e+06    3.47964e+05   -1.38801e+06   -3.37690e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12284e+02   -2.13701e+02    6.12458e+01    3.67479e-06

           Step           Time
      228885000   457770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50327e+03    1.81477e+04    1.23835e+04    1.02429e+03   -2.99733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51884e+03    1.03657e+05    2.80878e+05   -1.72242e+04   -2.15540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19370e+04   -1.73557e+06    3.46459e+05   -1.38911e+06   -3.37670e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10933e+02   -2.12853e+02    8.87134e+00    3.47617e-06

           Step           Time
      228890000   457780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64585e+03    1.81343e+04    1.23399e+04    1.05534e+03   -3.03531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48814e+03    1.04180e+05    2.80745e+05   -1.71875e+04   -2.15600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19545e+04   -1.73568e+06    3.45460e+05   -1.39022e+06   -3.37150e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10037e+02   -2.11946e+02   -2.13413e+01    3.25929e-06

           Step           Time
      228895000   457790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52622e+03    1.85496e+04    1.21313e+04    9.96346e+02   -2.86960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45388e+03    1.03670e+05    2.79437e+05   -1.71677e+04   -2.15361e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19903e+04   -1.73489e+06    3.45973e+05   -1.38892e+06   -3.36609e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10497e+02   -2.11459e+02   -6.05577e+01    3.59858e-06

           Step           Time
      228900000   457800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51433e+03    1.83474e+04    1.23970e+04    1.06213e+03   -3.02829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39610e+03    1.03554e+05    2.82578e+05   -1.72139e+04   -2.15766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20378e+04   -1.73602e+06    3.47324e+05   -1.38869e+06   -3.36601e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11710e+02   -2.12597e+02    1.18139e+02    3.65357e-06

           Step           Time
      228905000   457810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32541e+03    1.83018e+04    1.22618e+04    1.09359e+03   -2.88036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47669e+03    1.04150e+05    2.78656e+05   -1.71431e+04   -2.15179e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19376e+04   -1.73361e+06    3.45758e+05   -1.38785e+06   -3.36820e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10304e+02   -2.10856e+02   -1.16904e+02    3.58896e-06

           Step           Time
      228910000   457820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67526e+03    1.81745e+04    1.22590e+04    1.05566e+03   -2.96130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43924e+03    1.04215e+05    2.80889e+05   -1.72004e+04   -2.15519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19593e+04   -1.73469e+06    3.46727e+05   -1.38796e+06   -3.36192e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11174e+02   -2.12265e+02    1.87387e+01    3.59519e-06

           Step           Time
      228915000   457830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52181e+03    1.80955e+04    1.24362e+04    1.15884e+03   -2.94153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48194e+03    1.03900e+05    2.82750e+05   -1.71808e+04   -2.15628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19660e+04   -1.73409e+06    3.47364e+05   -1.38673e+06   -3.36334e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11746e+02   -2.11783e+02    8.18416e+01    3.58024e-06

           Step           Time
      228920000   457840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58273e+03    1.83842e+04    1.25193e+04    1.07979e+03   -2.96960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49003e+03    1.03865e+05    2.80702e+05   -1.71513e+04   -2.15294e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20855e+04   -1.73235e+06    3.47882e+05   -1.38447e+06   -3.36030e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12211e+02   -2.11058e+02    1.18103e+01    3.56654e-06

           Step           Time
      228925000   457850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68415e+03    1.84222e+04    1.22486e+04    1.13478e+03   -2.94952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49878e+03    1.03224e+05    2.79182e+05   -1.71914e+04   -2.15178e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21092e+04   -1.73342e+06    3.47777e+05   -1.38564e+06   -3.35530e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12117e+02   -2.12043e+02   -2.25025e+01    3.56721e-06

           Step           Time
      228930000   457860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43406e+03    1.82892e+04    1.24312e+04    1.04940e+03   -2.92481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54634e+03    1.03808e+05    2.80183e+05   -1.71750e+04   -2.15502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21115e+04   -1.73527e+06    3.45382e+05   -1.38988e+06   -3.34976e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09967e+02   -2.11639e+02   -4.18475e+01    3.73338e-06

           Step           Time
      228935000   457870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75267e+03    1.83478e+04    1.24574e+04    1.10155e+03   -3.02414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53240e+03    1.03737e+05    2.80749e+05   -1.71345e+04   -2.15333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19682e+04   -1.73285e+06    3.48550e+05   -1.38430e+06   -3.34774e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12810e+02   -2.10644e+02   -3.13410e+01    3.59604e-06

           Step           Time
      228940000   457880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63808e+03    1.83951e+04    1.23104e+04    1.03412e+03   -2.94571e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41749e+03    1.03345e+05    2.82965e+05   -1.71797e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20835e+04   -1.73518e+06    3.47133e+05   -1.38804e+06   -3.34415e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11538e+02   -2.11755e+02    8.81936e+01    3.58168e-06

           Step           Time
      228945000   457890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43934e+03    1.83906e+04    1.23952e+04    1.07538e+03   -2.98287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46400e+03    1.03768e+05    2.80071e+05   -1.71725e+04   -2.15366e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19741e+04   -1.73424e+06    3.46800e+05   -1.38744e+06   -3.34168e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11240e+02   -2.11578e+02   -2.06961e+01    3.55490e-06

           Step           Time
      228950000   457900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50670e+03    1.83955e+04    1.24046e+04    1.03072e+03   -2.82283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46815e+03    1.04074e+05    2.79249e+05   -1.71786e+04   -2.15332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20152e+04   -1.73418e+06    3.45104e+05   -1.38908e+06   -3.33405e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09718e+02   -2.11729e+02   -5.18486e+01    3.44543e-06

           Step           Time
      228955000   457910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27155e+03    1.82152e+04    1.23386e+04    1.04118e+03   -2.93207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50738e+03    1.03800e+05    2.78838e+05   -1.72004e+04   -2.15437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19505e+04   -1.73654e+06    3.47300e+05   -1.38924e+06   -3.33669e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11688e+02   -2.12265e+02   -3.02351e+01    3.63491e-06

           Step           Time
      228960000   457920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61661e+03    1.82125e+04    1.23677e+04    9.65546e+02   -2.87075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39035e+03    1.03251e+05    2.79339e+05   -1.71639e+04   -2.15231e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20347e+04   -1.73416e+06    3.46556e+05   -1.38761e+06   -3.33131e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11020e+02   -2.11367e+02   -9.13392e+01    3.61137e-06

           Step           Time
      228965000   457930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20424e+03    1.83274e+04    1.20666e+04    1.10271e+03   -2.76712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49772e+03    1.03776e+05    2.80655e+05   -1.72035e+04   -2.15472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20890e+04   -1.73497e+06    3.45594e+05   -1.38938e+06   -3.32930e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10157e+02   -2.12341e+02    7.10994e+01    3.63739e-06

           Step           Time
      228970000   457940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44007e+03    1.84871e+04    1.23204e+04    1.07046e+03   -2.97075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40894e+03    1.03419e+05    2.83188e+05   -1.72182e+04   -2.15825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20767e+04   -1.73603e+06    3.47182e+05   -1.38885e+06   -3.32451e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11582e+02   -2.12704e+02    1.18832e+02    3.65818e-06

           Step           Time
      228975000   457950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58666e+03    1.82452e+04    1.22833e+04    1.12922e+03   -2.88045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38744e+03    1.03355e+05    2.79003e+05   -1.71583e+04   -2.15346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21459e+04   -1.73536e+06    3.45397e+05   -1.38996e+06   -3.31978e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09980e+02   -2.11229e+02   -1.33249e+02    3.54247e-06

           Step           Time
      228980000   457960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75045e+03    1.85006e+04    1.24524e+04    1.09206e+03   -2.98250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53958e+03    1.03068e+05    2.79132e+05   -1.71334e+04   -2.15067e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20246e+04   -1.73222e+06    3.46994e+05   -1.38523e+06   -3.31700e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11414e+02   -2.10618e+02   -6.71836e+01    3.65127e-06

           Step           Time
      228985000   457970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53555e+03    1.80423e+04    1.25588e+04    9.60137e+02   -2.88133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55003e+03    1.03915e+05    2.79003e+05   -1.71290e+04   -2.15113e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21090e+04   -1.73247e+06    3.46969e+05   -1.38550e+06   -3.31562e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11391e+02   -2.10509e+02   -1.02521e+02    3.50972e-06

           Step           Time
      228990000   457980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54676e+03    1.83314e+04    1.23743e+04    1.16631e+03   -2.95554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50299e+03    1.03704e+05    2.80432e+05   -1.71789e+04   -2.15387e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18981e+04   -1.73405e+06    3.46579e+05   -1.38747e+06   -3.31398e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11041e+02   -2.11735e+02    1.36371e+01    3.60730e-06

           Step           Time
      228995000   457990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60925e+03    1.79655e+04    1.22387e+04    1.07033e+03   -2.91995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57681e+03    1.03502e+05    2.83285e+05   -1.72120e+04   -2.15945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19237e+04   -1.73741e+06    3.48174e+05   -1.38923e+06   -3.31064e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12472e+02   -2.12551e+02    1.53226e+02    3.78858e-06

           Step           Time
      229000000   458000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46940e+03    1.81262e+04    1.23564e+04    1.06891e+03   -2.89108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51412e+03    1.03819e+05    2.83488e+05   -1.71857e+04   -2.15901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18959e+04   -1.73635e+06    3.45684e+05   -1.39067e+06   -3.30466e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10238e+02   -2.11903e+02    1.33785e+02    3.57929e-06

           Step           Time
      229005000   458010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47887e+03    1.82320e+04    1.24089e+04    1.07309e+03   -2.95274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53735e+03    1.03350e+05    2.83733e+05   -1.71733e+04   -2.15855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21630e+04   -1.73570e+06    3.44664e+05   -1.39104e+06   -3.30369e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09322e+02   -2.11597e+02    9.93441e+01    3.55130e-06

           Step           Time
      229010000   458020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33918e+03    1.84782e+04    1.24419e+04    1.09118e+03   -2.92778e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47959e+03    1.03496e+05    2.80232e+05   -1.72005e+04   -2.15343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18700e+04   -1.73413e+06    3.46298e+05   -1.38784e+06   -3.30355e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10789e+02   -2.12268e+02   -2.02588e+01    3.51414e-06

           Step           Time
      229015000   458030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77074e+03    1.81596e+04    1.25623e+04    1.03622e+03   -2.99075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50783e+03    1.03631e+05    2.80996e+05   -1.72321e+04   -2.15666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20381e+04   -1.73618e+06    3.48747e+05   -1.38743e+06   -3.29632e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12987e+02   -2.13046e+02    2.77628e+01    3.73358e-06

           Step           Time
      229020000   458040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48138e+03    1.81466e+04    1.23513e+04    1.10904e+03   -2.90747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53443e+03    1.03963e+05    2.80229e+05   -1.71565e+04   -2.15476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19433e+04   -1.73506e+06    3.45339e+05   -1.38972e+06   -3.29419e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09928e+02   -2.11185e+02   -8.74419e+01    3.55364e-06

           Step           Time
      229025000   458050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55061e+03    1.81393e+04    1.23294e+04    1.10735e+03   -2.94950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51940e+03    1.03997e+05    2.79024e+05   -1.72022e+04   -2.15389e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21815e+04   -1.73519e+06    3.45668e+05   -1.38952e+06   -3.29306e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10223e+02   -2.12310e+02   -2.44507e+01    3.52054e-06

           Step           Time
      229030000   458060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55438e+03    1.79336e+04    1.24237e+04    1.00270e+03   -2.95865e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43190e+03    1.03613e+05    2.81253e+05   -1.71964e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18508e+04   -1.73733e+06    3.45795e+05   -1.39153e+06   -3.29195e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10338e+02   -2.12165e+02   -5.29436e+01    3.42341e-06

Writing checkpoint, step 229030400 at Fri Dec  1 21:23:07 2023


           Step           Time
      229035000   458070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45681e+03    1.77647e+04    1.24088e+04    1.03183e+03   -2.89053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52360e+03    1.04013e+05    2.79258e+05   -1.71653e+04   -2.15276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21328e+04   -1.73423e+06    3.46222e+05   -1.38800e+06   -3.28929e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10721e+02   -2.11400e+02   -3.57727e+01    3.58764e-06

           Step           Time
      229040000   458080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48365e+03    1.84144e+04    1.23783e+04    9.96423e+02   -2.87401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41029e+03    1.03418e+05    2.84172e+05   -1.71852e+04   -2.16012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19450e+04   -1.73696e+06    3.47668e+05   -1.38929e+06   -3.28640e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12019e+02   -2.11890e+02    5.32657e+01    3.60085e-06

           Step           Time
      229045000   458090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96328e+03    1.85531e+04    1.23736e+04    1.05680e+03   -2.82392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40095e+03    1.03044e+05    2.80753e+05   -1.71647e+04   -2.15175e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22772e+04   -1.73131e+06    3.48158e+05   -1.38315e+06   -3.28086e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12458e+02   -2.11386e+02    2.15704e+01    3.65507e-06

           Step           Time
      229050000   458100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67726e+03    1.78431e+04    1.24433e+04    1.05771e+03   -2.93342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45284e+03    1.03965e+05    2.78928e+05   -1.71424e+04   -2.15323e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20834e+04   -1.73485e+06    3.45571e+05   -1.38928e+06   -3.28071e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10137e+02   -2.10837e+02   -1.59759e+02    3.59544e-06

           Step           Time
      229055000   458110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75491e+03    1.80255e+04    1.22840e+04    1.08543e+03   -2.94300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46070e+03    1.03533e+05    2.77820e+05   -1.72022e+04   -2.15167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20834e+04   -1.73477e+06    3.45314e+05   -1.38946e+06   -3.27749e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09906e+02   -2.12310e+02   -1.05428e+02    3.52851e-06

           Step           Time
      229060000   458120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59171e+03    1.81923e+04    1.23502e+04    1.05604e+03   -2.94380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50116e+03    1.03423e+05    2.80294e+05   -1.72113e+04   -2.15423e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20250e+04   -1.73495e+06    3.44993e+05   -1.38996e+06   -3.27396e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09618e+02   -2.12534e+02    2.51783e+01    3.70998e-06

           Step           Time
      229065000   458130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49698e+03    1.79933e+04    1.21816e+04    1.12939e+03   -2.80833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58469e+03    1.03796e+05    2.82306e+05   -1.71514e+04   -2.15645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21133e+04   -1.73481e+06    3.46510e+05   -1.38830e+06   -3.27391e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10979e+02   -2.11060e+02    7.42963e+01    3.59675e-06

           Step           Time
      229070000   458140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53216e+03    1.78741e+04    1.24097e+04    1.08861e+03   -2.99760e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64228e+03    1.03603e+05    2.79738e+05   -1.71691e+04   -2.15244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19622e+04   -1.73375e+06    3.45333e+05   -1.38842e+06   -3.26969e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09923e+02   -2.11495e+02   -7.35123e-01    3.60658e-06

           Step           Time
      229075000   458150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42692e+03    1.82372e+04    1.22990e+04    1.09776e+03   -3.02651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55185e+03    1.03632e+05    2.80479e+05   -1.71909e+04   -2.15573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19751e+04   -1.73625e+06    3.46631e+05   -1.38962e+06   -3.27035e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11088e+02   -2.12031e+02   -4.73506e-01    3.49014e-06

           Step           Time
      229080000   458160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43024e+03    1.80637e+04    1.25840e+04    1.06073e+03   -3.06442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60576e+03    1.03959e+05    2.79997e+05   -1.72351e+04   -2.15446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21065e+04   -1.73495e+06    3.48036e+05   -1.38691e+06   -3.27011e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12349e+02   -2.13122e+02    1.95229e+01    3.83311e-06

           Step           Time
      229085000   458170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51412e+03    1.80382e+04    1.24498e+04    1.06659e+03   -2.88637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46472e+03    1.03448e+05    2.83801e+05   -1.71699e+04   -2.16000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21289e+04   -1.73714e+06    3.45810e+05   -1.39133e+06   -3.26445e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10351e+02   -2.11514e+02    5.64279e+01    3.65325e-06

           Step           Time
      229090000   458180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70941e+03    1.80948e+04    1.25929e+04    1.12623e+03   -3.06303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40219e+03    1.03684e+05    2.79555e+05   -1.71949e+04   -2.15260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21162e+04   -1.73357e+06    3.45719e+05   -1.38785e+06   -3.25858e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10270e+02   -2.12128e+02   -1.09670e+02    3.58842e-06

           Step           Time
      229095000   458190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60526e+03    1.80469e+04    1.22136e+04    1.05033e+03   -2.83589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40273e+03    1.03654e+05    2.78417e+05   -1.71719e+04   -2.15261e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20334e+04   -1.73520e+06    3.47279e+05   -1.38792e+06   -3.26031e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11669e+02   -2.11563e+02   -1.25984e+02    3.44691e-06

           Step           Time
      229100000   458200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44547e+03    1.82674e+04    1.24094e+04    9.89972e+02   -2.94225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51511e+03    1.04054e+05    2.81255e+05   -1.72115e+04   -2.15717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19376e+04   -1.73645e+06    3.47505e+05   -1.38894e+06   -3.25678e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11872e+02   -2.12540e+02   -2.31429e+00    3.71900e-06

           Step           Time
      229105000   458210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50346e+03    1.78629e+04    1.23208e+04    1.02578e+03   -2.86975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48038e+03    1.03835e+05    2.79910e+05   -1.71458e+04   -2.15642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20958e+04   -1.73740e+06    3.45830e+05   -1.39157e+06   -3.25669e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10369e+02   -2.10921e+02   -6.24425e+01    3.62406e-06

           Step           Time
      229110000   458220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57975e+03    1.78460e+04    1.23451e+04    1.03935e+03   -2.96525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39229e+03    1.03565e+05    2.80291e+05   -1.71766e+04   -2.15492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19266e+04   -1.73607e+06    3.44800e+05   -1.39127e+06   -3.25655e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09445e+02   -2.11680e+02   -6.82152e+01    3.58718e-06

           Step           Time
      229115000   458230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62756e+03    1.82447e+04    1.25748e+04    1.10638e+03   -2.95749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44762e+03    1.03558e+05    2.79356e+05   -1.71729e+04   -2.15174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20881e+04   -1.73287e+06    3.46994e+05   -1.38588e+06   -3.24936e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11413e+02   -2.11588e+02   -4.68167e+01    3.80282e-06

           Step           Time
      229120000   458240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48107e+03    1.80555e+04    1.23436e+04    1.08640e+03   -2.85848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60548e+03    1.03822e+05    2.79906e+05   -1.71943e+04   -2.15267e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19845e+04   -1.73344e+06    3.46259e+05   -1.38718e+06   -3.24998e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10754e+02   -2.12115e+02    8.12890e+01    3.60355e-06

           Step           Time
      229125000   458250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39170e+03    1.81280e+04    1.24346e+04    1.00887e+03   -2.85280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44147e+03    1.03552e+05    2.83230e+05   -1.72519e+04   -2.15992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19019e+04   -1.73794e+06    3.46704e+05   -1.39123e+06   -3.24498e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11154e+02   -2.13538e+02    1.61766e+02    3.56774e-06

           Step           Time
      229130000   458260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36156e+03    1.83303e+04    1.25239e+04    1.05527e+03   -2.96152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61293e+03    1.03779e+05    2.80487e+05   -1.71830e+04   -2.15535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21441e+04   -1.73520e+06    3.45591e+05   -1.38961e+06   -3.24199e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10154e+02   -2.11837e+02    2.61933e+01    3.78470e-06

           Step           Time
      229135000   458270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54512e+03    1.77181e+04    1.22957e+04    1.08761e+03   -2.93800e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56436e+03    1.03585e+05    2.83685e+05   -1.71966e+04   -2.15769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18974e+04   -1.73545e+06    3.45252e+05   -1.39020e+06   -3.23796e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09850e+02   -2.12171e+02    1.31090e+02    3.83155e-06

           Step           Time
      229140000   458280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72096e+03    1.78175e+04    1.22751e+04    1.03789e+03   -3.02702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50339e+03    1.03602e+05    2.81786e+05   -1.71753e+04   -2.15776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19475e+04   -1.73727e+06    3.44863e+05   -1.39240e+06   -3.23899e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09501e+02   -2.11648e+02   -5.71465e+01    3.46193e-06

           Step           Time
      229145000   458290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57513e+03    1.82294e+04    1.22585e+04    1.08082e+03   -3.04105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50180e+03    1.03523e+05    2.81441e+05   -1.72183e+04   -2.15499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20956e+04   -1.73455e+06    3.45338e+05   -1.38921e+06   -3.23508e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09927e+02   -2.12707e+02    1.20509e+01    3.74370e-06

           Step           Time
      229150000   458300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67351e+03    1.84043e+04    1.24956e+04    1.18427e+03   -2.98598e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46766e+03    1.03640e+05    2.79006e+05   -1.72069e+04   -2.15347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19107e+04   -1.73488e+06    3.47675e+05   -1.38721e+06   -3.23398e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12025e+02   -2.12426e+02   -4.25935e+01    3.75404e-06

           Step           Time
      229155000   458310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41504e+03    1.86140e+04    1.23841e+04    1.04384e+03   -2.95408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44354e+03    1.03874e+05    2.81177e+05   -1.72067e+04   -2.15361e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19517e+04   -1.73287e+06    3.46780e+05   -1.38609e+06   -3.23206e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11222e+02   -2.12420e+02    7.94276e+01    3.52124e-06

           Step           Time
      229160000   458320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53509e+03    1.82132e+04    1.20849e+04    9.54476e+02   -2.88962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58606e+03    1.04245e+05    2.82478e+05   -1.71806e+04   -2.15805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22082e+04   -1.73582e+06    3.46331e+05   -1.38948e+06   -3.22045e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10818e+02   -2.11777e+02    7.33909e+01    3.61933e-06

           Step           Time
      229165000   458330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56273e+03    1.79982e+04    1.22664e+04    1.06493e+03   -2.81032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48197e+03    1.03973e+05    2.80284e+05   -1.72174e+04   -2.15295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20616e+04   -1.73328e+06    3.45235e+05   -1.38805e+06   -3.22459e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09835e+02   -2.12684e+02   -4.83641e+01    3.53114e-06

           Step           Time
      229170000   458340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31669e+03    1.84273e+04    1.25301e+04    1.03372e+03   -2.95900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43392e+03    1.03980e+05    2.81283e+05   -1.71859e+04   -2.15768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19247e+04   -1.73690e+06    3.46384e+05   -1.39052e+06   -3.22140e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10866e+02   -2.11908e+02    9.46624e+00    3.71255e-06

           Step           Time
      229175000   458350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56079e+03    1.84017e+04    1.24918e+04    1.07721e+03   -2.92345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46089e+03    1.03614e+05    2.81230e+05   -1.71846e+04   -2.15564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21694e+04   -1.73474e+06    3.45430e+05   -1.38931e+06   -3.21374e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10010e+02   -2.11876e+02    4.20604e+01    3.73953e-06

           Step           Time
      229180000   458360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44385e+03    1.83939e+04    1.22795e+04    1.08103e+03   -2.86593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47235e+03    1.04088e+05    2.79122e+05   -1.71572e+04   -2.15301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18317e+04   -1.73433e+06    3.46919e+05   -1.38741e+06   -3.21378e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11346e+02   -2.11201e+02   -2.75426e+01    3.75310e-06

           Step           Time
      229185000   458370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57915e+03    1.84181e+04    1.23893e+04    1.01225e+03   -3.01923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37933e+03    1.03784e+05    2.80700e+05   -1.71822e+04   -2.15246e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20487e+04   -1.73235e+06    3.44947e+05   -1.38740e+06   -3.20800e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09576e+02   -2.11818e+02    9.22624e+00    3.68858e-06

           Step           Time
      229190000   458380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57644e+03    1.80143e+04    1.23042e+04    1.04985e+03   -2.85507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40730e+03    1.04004e+05    2.78641e+05   -1.72010e+04   -2.15462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20500e+04   -1.73662e+06    3.45952e+05   -1.39067e+06   -3.20934e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10478e+02   -2.12279e+02   -1.04283e+02    3.64369e-06

           Step           Time
      229195000   458390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58122e+03    1.83413e+04    1.24750e+04    1.13811e+03   -2.96345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51477e+03    1.03863e+05    2.82175e+05   -1.71964e+04   -2.15486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20396e+04   -1.73289e+06    3.47689e+05   -1.38520e+06   -3.20545e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12037e+02   -2.12168e+02    1.00259e+02    3.73290e-06

           Step           Time
      229200000   458400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30221e+03    1.83839e+04    1.23798e+04    1.05930e+03   -2.90214e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51161e+03    1.03748e+05    2.82701e+05   -1.71965e+04   -2.15701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21069e+04   -1.73492e+06    3.48969e+05   -1.38595e+06   -3.20649e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13186e+02   -2.12168e+02    1.46329e+02    3.67949e-06

           Step           Time
      229205000   458410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60440e+03    1.83287e+04    1.22491e+04    9.58906e+02   -2.84182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49470e+03    1.03931e+05    2.79842e+05   -1.71724e+04   -2.15261e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19966e+04   -1.73322e+06    3.48112e+05   -1.38511e+06   -3.20464e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12417e+02   -2.11575e+02    1.02745e+01    3.58273e-06

           Step           Time
      229210000   458420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72794e+03    1.81199e+04    1.24905e+04    1.03310e+03   -2.84442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47256e+03    1.03484e+05    2.81121e+05   -1.71655e+04   -2.15674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20128e+04   -1.73629e+06    3.46192e+05   -1.39010e+06   -3.20038e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10694e+02   -2.11404e+02   -6.95585e+01    3.67394e-06

           Step           Time
      229215000   458430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56655e+03    1.80607e+04    1.23182e+04    1.09050e+03   -2.90919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58528e+03    1.04174e+05    2.79894e+05   -1.72071e+04   -2.15261e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20759e+04   -1.73296e+06    3.46983e+05   -1.38598e+06   -3.19415e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11404e+02   -2.12431e+02    2.98485e+01    3.73373e-06

           Step           Time
      229220000   458440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44584e+03    1.84845e+04    1.24207e+04    1.11219e+03   -2.91682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55151e+03    1.03932e+05    2.82630e+05   -1.71766e+04   -2.15794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20230e+04   -1.73543e+06    3.47937e+05   -1.38750e+06   -3.18916e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12260e+02   -2.11679e+02    3.92497e+01    3.59811e-06

           Step           Time
      229225000   458450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71458e+03    1.82622e+04    1.22107e+04    1.02526e+03   -2.93436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40108e+03    1.04054e+05    2.81907e+05   -1.71444e+04   -2.15547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20269e+04   -1.73395e+06    3.46960e+05   -1.38699e+06   -3.18662e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11383e+02   -2.10887e+02   -4.45052e+01    3.67127e-06

           Step           Time
      229230000   458460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70622e+03    1.82412e+04    1.25925e+04    1.06092e+03   -2.89406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49674e+03    1.03127e+05    2.82717e+05   -1.72037e+04   -2.15647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19997e+04   -1.73462e+06    3.47531e+05   -1.38709e+06   -3.18536e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11896e+02   -2.12346e+02    7.39494e+01    3.41937e-06

           Step           Time
      229235000   458470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55439e+03    1.81697e+04    1.24916e+04    1.12913e+03   -2.93327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42640e+03    1.04087e+05    2.78476e+05   -1.72143e+04   -2.15259e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20803e+04   -1.73432e+06    3.47091e+05   -1.38723e+06   -3.18309e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11500e+02   -2.12608e+02   -5.39591e+01    3.66409e-06

           Step           Time
      229240000   458480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71035e+03    1.77519e+04    1.23487e+04    1.05862e+03   -2.87310e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56198e+03    1.03760e+05    2.79811e+05   -1.72003e+04   -2.15575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22149e+04   -1.73660e+06    3.45949e+05   -1.39065e+06   -3.17994e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10476e+02   -2.12262e+02   -1.03058e+02    3.66881e-06

           Step           Time
      229245000   458490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45090e+03    1.79545e+04    1.22822e+04    1.07377e+03   -2.82135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47324e+03    1.03322e+05    2.80525e+05   -1.71625e+04   -2.15696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19033e+04   -1.73796e+06    3.46067e+05   -1.39190e+06   -3.18170e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10582e+02   -2.11332e+02   -3.24966e+01    3.63715e-06

           Step           Time
      229250000   458500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49127e+03    1.82150e+04    1.24228e+04    1.09480e+03   -2.89445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49328e+03    1.03660e+05    2.79814e+05   -1.71951e+04   -2.15534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21050e+04   -1.73613e+06    3.47933e+05   -1.38820e+06   -3.17546e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12257e+02   -2.12135e+02   -1.30455e+01    3.72977e-06

           Step           Time
      229255000   458510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58321e+03    1.80527e+04    1.25094e+04    1.10235e+03   -2.89733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49099e+03    1.03589e+05    2.82241e+05   -1.71774e+04   -2.15666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19826e+04   -1.73519e+06    3.46834e+05   -1.38835e+06   -3.17268e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11270e+02   -2.11699e+02    1.13358e+02    3.52256e-06

           Step           Time
      229260000   458520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.17459e+03    1.80994e+04    1.24219e+04    1.04988e+03   -2.90186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59377e+03    1.03970e+05    2.80138e+05   -1.72587e+04   -2.15791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19714e+04   -1.73865e+06    3.45953e+05   -1.39270e+06   -3.17131e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10480e+02   -2.13706e+02    5.37462e+00    3.55369e-06

           Step           Time
      229265000   458530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59020e+03    1.83110e+04    1.24207e+04    1.00738e+03   -2.97501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53900e+03    1.03253e+05    2.80304e+05   -1.72004e+04   -2.15584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18464e+04   -1.73674e+06    3.48329e+05   -1.38841e+06   -3.16852e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12612e+02   -2.12266e+02    4.94568e+01    3.60072e-06

           Step           Time
      229270000   458540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36955e+03    1.83533e+04    1.23690e+04    1.10068e+03   -2.89507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56660e+03    1.03439e+05    2.79963e+05   -1.71871e+04   -2.15444e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20317e+04   -1.73533e+06    3.46788e+05   -1.38854e+06   -3.16329e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11229e+02   -2.11937e+02    2.74175e+01    3.59373e-06

           Step           Time
      229275000   458550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49273e+03    1.84283e+04    1.23433e+04    1.18169e+03   -2.88421e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48615e+03    1.03503e+05    2.82487e+05   -1.71913e+04   -2.15683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20214e+04   -1.73496e+06    3.46589e+05   -1.38837e+06   -3.15990e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11050e+02   -2.12041e+02    4.59118e+01    3.55663e-06

           Step           Time
      229280000   458560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69053e+03    1.83090e+04    1.23822e+04    1.03818e+03   -2.86450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45207e+03    1.03580e+05    2.81123e+05   -1.71849e+04   -2.15270e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.16409e+04   -1.73253e+06    3.46373e+05   -1.38616e+06   -3.16030e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10857e+02   -2.11884e+02    2.98559e+01    3.77550e-06

           Step           Time
      229285000   458570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36508e+03    1.79756e+04    1.23075e+04    1.04714e+03   -2.88549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62462e+03    1.03776e+05    2.82553e+05   -1.71966e+04   -2.15873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19627e+04   -1.73720e+06    3.45658e+05   -1.39155e+06   -3.15810e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10214e+02   -2.12172e+02    1.35405e+02    3.50364e-06

           Step           Time
      229290000   458580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37033e+03    1.83797e+04    1.24411e+04    1.09582e+03   -2.95759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53209e+03    1.04062e+05    2.79294e+05   -1.71569e+04   -2.15348e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19552e+04   -1.73447e+06    3.46419e+05   -1.38805e+06   -3.15584e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10897e+02   -2.11195e+02   -4.57909e+01    3.73600e-06

           Step           Time
      229295000   458590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53725e+03    1.83760e+04    1.23836e+04    1.09581e+03   -2.83003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46868e+03    1.03434e+05    2.82727e+05   -1.72041e+04   -2.15870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20456e+04   -1.73667e+06    3.47128e+05   -1.38954e+06   -3.15091e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11534e+02   -2.12356e+02    4.03374e+01    3.58530e-06

           Step           Time
      229300000   458600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44312e+03    1.79615e+04    1.23862e+04    1.05387e+03   -2.92190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39638e+03    1.03769e+05    2.81475e+05   -1.71829e+04   -2.15522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21743e+04   -1.73466e+06    3.46144e+05   -1.38852e+06   -3.15398e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10651e+02   -2.11835e+02   -3.29192e+00    3.57900e-06

           Step           Time
      229305000   458610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54440e+03    1.80090e+04    1.23175e+04    1.08732e+03   -2.88797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59996e+03    1.03338e+05    2.82054e+05   -1.72087e+04   -2.15620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19267e+04   -1.73542e+06    3.44269e+05   -1.39115e+06   -3.14450e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08968e+02   -2.12469e+02    4.77081e+01    3.58550e-06

           Step           Time
      229310000   458620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48208e+03    1.84922e+04    1.24424e+04    1.08741e+03   -2.89640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54357e+03    1.03792e+05    2.82519e+05   -1.71802e+04   -2.15719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21062e+04   -1.73480e+06    3.46750e+05   -1.38805e+06   -3.14332e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11194e+02   -2.11766e+02    5.36437e+01    3.65382e-06

           Step           Time
      229315000   458630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61842e+03    1.82010e+04    1.23290e+04    1.07004e+03   -2.95346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50603e+03    1.03912e+05    2.79559e+05   -1.71771e+04   -2.15549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18213e+04   -1.73660e+06    3.47557e+05   -1.38904e+06   -3.14685e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11919e+02   -2.11691e+02   -1.25769e+02    3.57681e-06

           Step           Time
      229320000   458640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63675e+03    1.81047e+04    1.23739e+04    1.14888e+03   -2.98370e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52831e+03    1.03726e+05    2.79832e+05   -1.71904e+04   -2.15296e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21559e+04   -1.73362e+06    3.46487e+05   -1.38714e+06   -3.13891e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10959e+02   -2.12018e+02    5.72198e+01    3.65334e-06

           Step           Time
      229325000   458650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44074e+03    1.85594e+04    1.23409e+04    1.02630e+03   -2.94053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42806e+03    1.03628e+05    2.79276e+05   -1.71942e+04   -2.15212e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22213e+04   -1.73333e+06    3.45560e+05   -1.38777e+06   -3.13479e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10127e+02   -2.12111e+02   -1.33519e+01    3.46271e-06

           Step           Time
      229330000   458660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32633e+03    1.83047e+04    1.23937e+04    1.07067e+03   -2.81749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44421e+03    1.03817e+05    2.80996e+05   -1.71698e+04   -2.15315e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22109e+04   -1.73257e+06    3.45483e+05   -1.38709e+06   -3.13652e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10058e+02   -2.11511e+02    5.75527e+00    3.67252e-06

           Step           Time
      229335000   458670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69729e+03    1.83354e+04    1.22405e+04    1.09688e+03   -2.91618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47616e+03    1.03619e+05    2.80717e+05   -1.71947e+04   -2.15255e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19854e+04   -1.73249e+06    3.47079e+05   -1.38541e+06   -3.13584e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11490e+02   -2.12124e+02    1.51174e+01    3.56790e-06

           Step           Time
      229340000   458680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34226e+03    1.80477e+04    1.24193e+04    1.05184e+03   -2.96437e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52949e+03    1.04173e+05    2.79837e+05   -1.72035e+04   -2.15379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21024e+04   -1.73446e+06    3.47154e+05   -1.38730e+06   -3.13492e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11557e+02   -2.12342e+02    4.88273e+01    3.54253e-06

           Step           Time
      229345000   458690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61699e+03    1.80596e+04    1.23714e+04    9.76896e+02   -2.84619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55591e+03    1.03667e+05    2.79389e+05   -1.71858e+04   -2.15365e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21425e+04   -1.73491e+06    3.44820e+05   -1.39009e+06   -3.12834e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09462e+02   -2.11905e+02   -9.31697e+01    3.53928e-06

           Step           Time
      229350000   458700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36692e+03    1.79448e+04    1.22673e+04    1.05595e+03   -2.97631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50967e+03    1.04187e+05    2.80838e+05   -1.72228e+04   -2.15620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20656e+04   -1.73617e+06    3.45947e+05   -1.39022e+06   -3.12882e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10474e+02   -2.12818e+02   -2.94611e+01    3.70094e-06

           Step           Time
      229355000   458710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33870e+03    1.76145e+04    1.22741e+04    1.06813e+03   -2.97091e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49893e+03    1.03668e+05    2.82281e+05   -1.72023e+04   -2.15873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18425e+04   -1.73831e+06    3.46512e+05   -1.39180e+06   -3.13038e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10981e+02   -2.12313e+02    1.57987e+01    3.70784e-06

           Step           Time
      229360000   458720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45262e+03    1.84227e+04    1.25622e+04    1.06013e+03   -2.99158e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47663e+03    1.03739e+05    2.79758e+05   -1.71836e+04   -2.15350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21344e+04   -1.73407e+06    3.46290e+05   -1.38778e+06   -3.12335e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10782e+02   -2.11851e+02   -2.07254e+00    3.55904e-06

           Step           Time
      229365000   458730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48854e+03    1.83256e+04    1.24728e+04    1.11104e+03   -2.84812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48561e+03    1.03645e+05    2.80171e+05   -1.71887e+04   -2.15407e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22084e+04   -1.73420e+06    3.48563e+05   -1.38564e+06   -3.12170e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12822e+02   -2.11977e+02   -1.05800e+00    3.59144e-06

           Step           Time
      229370000   458740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56596e+03    1.84215e+04    1.25195e+04    1.02278e+03   -3.04501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37618e+03    1.03476e+05    2.80003e+05   -1.72027e+04   -2.15451e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19783e+04   -1.73539e+06    3.45079e+05   -1.39031e+06   -3.11811e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09695e+02   -2.12322e+02   -8.73002e+01    3.58673e-06

           Step           Time
      229375000   458750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57125e+03    1.78527e+04    1.24288e+04    1.03713e+03   -3.01372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49944e+03    1.03289e+05    2.78913e+05   -1.72137e+04   -2.15269e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20339e+04   -1.73529e+06    3.45319e+05   -1.38997e+06   -3.11716e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09910e+02   -2.12592e+02   -6.03323e+01    3.62425e-06

           Step           Time
      229380000   458760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45373e+03    1.82813e+04    1.23596e+04    1.01069e+03   -2.96423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41498e+03    1.03438e+05    2.80790e+05   -1.71857e+04   -2.15467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20795e+04   -1.73499e+06    3.45845e+05   -1.38914e+06   -3.11724e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10383e+02   -2.11903e+02   -4.31569e+01    3.75384e-06

           Step           Time
      229385000   458770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59517e+03    1.82202e+04    1.25194e+04    1.01300e+03   -3.01918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48363e+03    1.03127e+05    2.80601e+05   -1.72187e+04   -2.15576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19317e+04   -1.73650e+06    3.46143e+05   -1.39036e+06   -3.11000e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10650e+02   -2.12717e+02    1.73012e+01    3.61314e-06

           Step           Time
      229390000   458780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48105e+03    1.80174e+04    1.22711e+04    1.04669e+03   -2.88138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38710e+03    1.04070e+05    2.81801e+05   -1.72099e+04   -2.15522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18704e+04   -1.73437e+06    3.48192e+05   -1.38618e+06   -3.11054e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12489e+02   -2.12501e+02    3.75518e+01    3.67689e-06

           Step           Time
      229395000   458790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39659e+03    1.82273e+04    1.23470e+04    1.02149e+03   -2.84797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65221e+03    1.04105e+05    2.83350e+05   -1.71907e+04   -2.15789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20070e+04   -1.73482e+06    3.46889e+05   -1.38793e+06   -3.10278e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11319e+02   -2.12025e+02    1.58448e+02    3.67794e-06

           Step           Time
      229400000   458800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52554e+03    1.85500e+04    1.23849e+04    1.08846e+03   -2.85362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58459e+03    1.03590e+05    2.81445e+05   -1.71657e+04   -2.15321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20701e+04   -1.73199e+06    3.46558e+05   -1.38543e+06   -3.10091e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11023e+02   -2.11411e+02    1.11220e+02    3.47691e-06

           Step           Time
      229405000   458810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58163e+03    1.83755e+04    1.23093e+04    1.08444e+03   -2.98203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62703e+03    1.04224e+05    2.80013e+05   -1.71540e+04   -2.15304e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21175e+04   -1.73284e+06    3.48408e+05   -1.38444e+06   -3.09684e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12682e+02   -2.11122e+02   -3.11022e+01    3.58601e-06

           Step           Time
      229410000   458820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57862e+03    1.77716e+04    1.23439e+04    1.04241e+03   -2.85211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42408e+03    1.03641e+05    2.80662e+05   -1.71723e+04   -2.15572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19946e+04   -1.73629e+06    3.46291e+05   -1.39000e+06   -3.09865e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10783e+02   -2.11573e+02   -4.70830e+01    3.61522e-06

           Step           Time
      229415000   458830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46750e+03    1.83574e+04    1.24369e+04    1.12146e+03   -2.82492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53802e+03    1.03437e+05    2.82590e+05   -1.72220e+04   -2.15653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20634e+04   -1.73456e+06    3.46536e+05   -1.38803e+06   -3.09361e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11003e+02   -2.12797e+02    1.75260e+02    3.45012e-06

           Step           Time
      229420000   458840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49230e+03    1.82274e+04    1.24372e+04    1.12048e+03   -2.79554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44716e+03    1.03634e+05    2.83426e+05   -1.72115e+04   -2.15881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20775e+04   -1.73595e+06    3.46695e+05   -1.38926e+06   -3.09065e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11145e+02   -2.12538e+02    1.15016e+02    3.53586e-06

           Step           Time
      229425000   458850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57959e+03    1.84667e+04    1.25767e+04    1.04056e+03   -2.92445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42550e+03    1.03628e+05    2.80381e+05   -1.71577e+04   -2.15531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18952e+04   -1.73539e+06    3.46922e+05   -1.38847e+06   -3.08670e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11349e+02   -2.11213e+02   -1.04720e+02    3.64215e-06

           Step           Time
      229430000   458860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61776e+03    1.83701e+04    1.23473e+04    1.12223e+03   -2.84492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54060e+03    1.03956e+05    2.79166e+05   -1.71960e+04   -2.15174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21592e+04   -1.73250e+06    3.48072e+05   -1.38443e+06   -3.08200e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12381e+02   -2.12156e+02    4.26635e+01    3.67348e-06

           Step           Time
      229435000   458870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57783e+03    1.85142e+04    1.24808e+04    1.09999e+03   -2.92694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46277e+03    1.03902e+05    2.82176e+05   -1.71746e+04   -2.15680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18949e+04   -1.73480e+06    3.47431e+05   -1.38737e+06   -3.08304e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11806e+02   -2.11630e+02    1.24633e+01    3.43492e-06

           Step           Time
      229440000   458880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68578e+03    1.83304e+04    1.22903e+04    1.03856e+03   -2.89799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53204e+03    1.03463e+05    2.78995e+05   -1.71716e+04   -2.15081e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21261e+04   -1.73242e+06    3.47818e+05   -1.38460e+06   -3.07739e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12153e+02   -2.11557e+02   -7.31918e+01    3.60923e-06

           Step           Time
      229445000   458890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33929e+03    1.83203e+04    1.22931e+04    1.12691e+03   -2.84680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46176e+03    1.03313e+05    2.79235e+05   -1.71697e+04   -2.15221e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19448e+04   -1.73419e+06    3.46625e+05   -1.38757e+06   -3.07660e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11083e+02   -2.11508e+02   -7.12468e+01    3.60532e-06

           Step           Time
      229450000   458900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50853e+03    1.81285e+04    1.22860e+04    1.15091e+03   -2.96010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54107e+03    1.04184e+05    2.80836e+05   -1.72165e+04   -2.15425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19398e+04   -1.73385e+06    3.46258e+05   -1.38759e+06   -3.07376e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10754e+02   -2.12662e+02    4.41564e+01    3.55987e-06

           Step           Time
      229455000   458910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62887e+03    1.82832e+04    1.25052e+04    1.07833e+03   -2.99978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44498e+03    1.03679e+05    2.82808e+05   -1.72025e+04   -2.15685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19790e+04   -1.73465e+06    3.46652e+05   -1.38799e+06   -3.07025e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11107e+02   -2.12317e+02    7.68326e+01    3.90052e-06

           Step           Time
      229460000   458920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62488e+03    1.82684e+04    1.25940e+04    1.03474e+03   -2.83535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51312e+03    1.03436e+05    2.78259e+05   -1.71970e+04   -2.15225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19090e+04   -1.73465e+06    3.47329e+05   -1.38732e+06   -3.06879e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11714e+02   -2.12181e+02   -7.46055e+01    3.51378e-06

           Step           Time
      229465000   458930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58880e+03    1.81389e+04    1.24471e+04    1.07491e+03   -2.86892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54603e+03    1.03711e+05    2.80098e+05   -1.71873e+04   -2.15391e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21298e+04   -1.73424e+06    3.46149e+05   -1.38809e+06   -3.06216e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10655e+02   -2.11941e+02   -4.11537e+01    3.57114e-06

           Step           Time
      229470000   458940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42676e+03    1.84593e+04    1.24941e+04    1.09183e+03   -2.92513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57268e+03    1.04247e+05    2.78858e+05   -1.72304e+04   -2.15295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18811e+04   -1.73407e+06    3.45686e+05   -1.38839e+06   -3.06081e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10240e+02   -2.13005e+02    2.84448e+01    3.42572e-06

           Step           Time
      229475000   458950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67395e+03    1.82554e+04    1.23465e+04    1.03844e+03   -2.90328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50143e+03    1.03835e+05    2.83436e+05   -1.71935e+04   -2.15700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20348e+04   -1.73397e+06    3.46498e+05   -1.38748e+06   -3.05679e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10969e+02   -2.12095e+02    2.08324e+02    3.62612e-06

           Step           Time
      229480000   458960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35527e+03    1.81598e+04    1.23530e+04    1.14177e+03   -3.10892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41156e+03    1.03833e+05    2.79055e+05   -1.71626e+04   -2.15400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20607e+04   -1.73590e+06    3.46944e+05   -1.38895e+06   -3.06450e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11369e+02   -2.11333e+02   -5.99155e+01    3.76194e-06

           Step           Time
      229485000   458970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73255e+03    1.84605e+04    1.23238e+04    1.09052e+03   -2.90718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35580e+03    1.03929e+05    2.79205e+05   -1.71809e+04   -2.15315e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19629e+04   -1.73418e+06    3.47141e+05   -1.38704e+06   -3.05564e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11545e+02   -2.11784e+02   -1.12040e+02    3.53025e-06

           Step           Time
      229490000   458980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40863e+03    1.82206e+04    1.23339e+04    1.15381e+03   -2.91149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63561e+03    1.03677e+05    2.80254e+05   -1.71954e+04   -2.15210e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19158e+04   -1.73260e+06    3.45817e+05   -1.38679e+06   -3.05491e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10357e+02   -2.12142e+02    3.19933e+01    3.62314e-06

           Step           Time
      229495000   458990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23881e+03    1.80320e+04    1.23179e+04    1.05872e+03   -2.87843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58524e+03    1.03516e+05    2.78693e+05   -1.71679e+04   -2.15260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18478e+04   -1.73535e+06    3.44988e+05   -1.39037e+06   -3.05150e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09613e+02   -2.11465e+02   -3.74161e+01    3.50312e-06

           Step           Time
      229500000   459000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67917e+03    1.83325e+04    1.24192e+04    1.03656e+03   -2.98646e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44378e+03    1.03671e+05    2.75348e+05   -1.71717e+04   -2.14774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19413e+04   -1.73302e+06    3.45742e+05   -1.38728e+06   -3.04792e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10290e+02   -2.11558e+02   -1.82954e+02    3.41099e-06

           Step           Time
      229505000   459010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64867e+03    1.80034e+04    1.23515e+04    1.09964e+03   -2.81305e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49546e+03    1.04055e+05    2.81128e+05   -1.71776e+04   -2.15526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18735e+04   -1.73459e+06    3.44893e+05   -1.38970e+06   -3.04308e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09528e+02   -2.11704e+02    1.04926e+01    3.68175e-06

           Step           Time
      229510000   459020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42971e+03    1.81686e+04    1.23710e+04    1.06329e+03   -2.99473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54714e+03    1.03941e+05    2.81203e+05   -1.71388e+04   -2.15357e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20823e+04   -1.73290e+06    3.45936e+05   -1.38696e+06   -3.04818e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10464e+02   -2.10748e+02    9.33272e+01    3.61961e-06

           Step           Time
      229515000   459030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39139e+03    1.83158e+04    1.26160e+04    1.08105e+03   -2.86074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47462e+03    1.03660e+05    2.78552e+05   -1.71722e+04   -2.15224e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20147e+04   -1.73416e+06    3.48104e+05   -1.38606e+06   -3.04542e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12410e+02   -2.11571e+02   -3.41015e+01    3.68934e-06

           Step           Time
      229520000   459040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57882e+03    1.77654e+04    1.23004e+04    1.09555e+03   -2.85175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49240e+03    1.04323e+05    2.82692e+05   -1.72059e+04   -2.15830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19602e+04   -1.73615e+06    3.46788e+05   -1.38936e+06   -3.04418e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11229e+02   -2.12401e+02    8.68359e+01    3.74770e-06

           Step           Time
      229525000   459050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21647e+03    1.84451e+04    1.23785e+04    1.07176e+03   -2.83626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53637e+03    1.03996e+05    2.77370e+05   -1.71226e+04   -2.15120e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18589e+04   -1.73429e+06    3.47113e+05   -1.38717e+06   -3.03922e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11521e+02   -2.10351e+02   -1.76482e+02    3.51172e-06

           Step           Time
      229530000   459060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57707e+03    1.82185e+04    1.24294e+04    1.16985e+03   -2.80200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53311e+03    1.03952e+05    2.78911e+05   -1.72307e+04   -2.15137e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20296e+04   -1.73258e+06    3.47690e+05   -1.38489e+06   -3.03578e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12038e+02   -2.13012e+02    1.58350e+01    3.83270e-06

           Step           Time
      229535000   459070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41176e+03    1.83481e+04    1.23778e+04    1.08196e+03   -2.80160e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54601e+03    1.03925e+05    2.81410e+05   -1.71857e+04   -2.15672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18854e+04   -1.73573e+06    3.45603e+05   -1.39012e+06   -3.02695e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10165e+02   -2.11904e+02    2.28404e+01    3.61995e-06

           Step           Time
      229540000   459080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73000e+03    1.86227e+04    1.21292e+04    1.05537e+03   -2.83327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39683e+03    1.03847e+05    2.80714e+05   -1.71713e+04   -2.15422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20265e+04   -1.73370e+06    3.46878e+05   -1.38682e+06   -3.02402e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11310e+02   -2.11548e+02   -2.60342e+01    3.51654e-06

           Step           Time
      229545000   459090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58609e+03    1.82960e+04    1.21474e+04    1.05925e+03   -2.77628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47459e+03    1.04072e+05    2.83408e+05   -1.72275e+04   -2.15791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18931e+04   -1.73497e+06    3.48281e+05   -1.38669e+06   -3.02422e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12568e+02   -2.12935e+02    1.03150e+02    3.74672e-06

           Step           Time
      229550000   459100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54087e+03    1.81799e+04    1.23303e+04    1.07440e+03   -2.77313e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59552e+03    1.04143e+05    2.82348e+05   -1.71924e+04   -2.15596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21883e+04   -1.73352e+06    3.45868e+05   -1.38765e+06   -3.01989e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10403e+02   -2.12067e+02    1.02681e+02    3.45976e-06

           Step           Time
      229555000   459110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57540e+03    1.81135e+04    1.24073e+04    1.09920e+03   -2.92563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48561e+03    1.03550e+05    2.81045e+05   -1.72220e+04   -2.15457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18295e+04   -1.73461e+06    3.46590e+05   -1.38802e+06   -3.02128e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11051e+02   -2.12797e+02    7.58555e+01    3.64825e-06

           Step           Time
      229560000   459120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24278e+03    1.82554e+04    1.21721e+04    1.08965e+03   -2.83649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65429e+03    1.04170e+05    2.80584e+05   -1.72121e+04   -2.15482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20795e+04   -1.73462e+06    3.45992e+05   -1.38863e+06   -3.01876e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10514e+02   -2.12554e+02    6.48148e+01    3.63399e-06

           Step           Time
      229565000   459130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36027e+03    1.85880e+04    1.24286e+04    1.07073e+03   -2.78940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44615e+03    1.03711e+05    2.81723e+05   -1.72249e+04   -2.15757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20549e+04   -1.73621e+06    3.45858e+05   -1.39035e+06   -3.01345e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10394e+02   -2.12870e+02    3.48535e+01    3.55410e-06

           Step           Time
      229570000   459140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64881e+03    1.81696e+04    1.23833e+04    9.90417e+02   -2.80767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62766e+03    1.04042e+05    2.81133e+05   -1.71837e+04   -2.15507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19125e+04   -1.73416e+06    3.46121e+05   -1.38804e+06   -3.01170e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10630e+02   -2.11854e+02    7.00317e+01    3.60445e-06

           Step           Time
      229575000   459150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48711e+03    1.80272e+04    1.22517e+04    1.04397e+03   -2.91879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56017e+03    1.04537e+05    2.81923e+05   -1.71972e+04   -2.15930e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21320e+04   -1.73746e+06    3.45501e+05   -1.39195e+06   -3.01110e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10074e+02   -2.12186e+02    4.09466e+01    3.63305e-06

           Step           Time
      229580000   459160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39053e+03    1.84209e+04    1.23533e+04    9.97571e+02   -2.86834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52313e+03    1.04350e+05    2.81626e+05   -1.71946e+04   -2.15758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20853e+04   -1.73590e+06    3.47106e+05   -1.38880e+06   -3.00432e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11514e+02   -2.12123e+02    7.01785e+01    3.69374e-06

           Step           Time
      229585000   459170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34780e+03    1.79358e+04    1.23141e+04    1.06658e+03   -2.84845e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50385e+03    1.04665e+05    2.80810e+05   -1.72216e+04   -2.15781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18821e+04   -1.73735e+06    3.47040e+05   -1.39031e+06   -3.00730e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11454e+02   -2.12787e+02    5.27943e+01    3.48223e-06

           Step           Time
      229590000   459180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61254e+03    1.79489e+04    1.23550e+04    1.06376e+03   -2.87985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46244e+03    1.04440e+05    2.81359e+05   -1.71975e+04   -2.15697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19512e+04   -1.73585e+06    3.47249e+05   -1.38860e+06   -3.00112e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11642e+02   -2.12194e+02   -1.09339e+01    3.64067e-06

           Step           Time
      229595000   459190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45606e+03    1.80174e+04    1.23427e+04    1.14912e+03   -2.76180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66227e+03    1.03865e+05    2.79562e+05   -1.71937e+04   -2.15418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19040e+04   -1.73518e+06    3.46214e+05   -1.38896e+06   -2.99959e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10714e+02   -2.12101e+02   -5.25942e+01    3.49491e-06

           Step           Time
      229600000   459200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71906e+03    1.83023e+04    1.24297e+04    1.19853e+03   -2.95239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47402e+03    1.03869e+05    2.78303e+05   -1.71958e+04   -2.15302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20604e+04   -1.73481e+06    3.47786e+05   -1.38702e+06   -2.99390e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12124e+02   -2.12151e+02   -3.68733e+01    3.65168e-06

           Step           Time
      229605000   459210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53234e+03    1.81013e+04    1.25006e+04    1.09362e+03   -2.80587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60424e+03    1.03798e+05    2.82145e+05   -1.72115e+04   -2.15774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20964e+04   -1.73588e+06    3.46525e+05   -1.38936e+06   -2.99279e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10993e+02   -2.12538e+02    7.77956e+01    3.64058e-06

           Step           Time
      229610000   459220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66190e+03    1.81525e+04    1.23740e+04    1.16446e+03   -2.92369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53539e+03    1.04071e+05    2.80814e+05   -1.71897e+04   -2.15369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21276e+04   -1.73291e+06    3.46012e+05   -1.38690e+06   -2.98829e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10532e+02   -2.12001e+02   -1.50600e+00    3.49933e-06

           Step           Time
      229615000   459230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77618e+03    1.80960e+04    1.24608e+04    1.00628e+03   -2.92209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55841e+03    1.03999e+05    2.82600e+05   -1.71836e+04   -2.15625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19525e+04   -1.73391e+06    3.46145e+05   -1.38776e+06   -2.98752e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10652e+02   -2.11851e+02    5.36876e+01    3.62916e-06

           Step           Time
      229620000   459240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47833e+03    1.80739e+04    1.24144e+04    1.03197e+03   -2.91938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66301e+03    1.03907e+05    2.83432e+05   -1.72175e+04   -2.15883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19584e+04   -1.73601e+06    3.46292e+05   -1.38972e+06   -2.98482e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10784e+02   -2.12688e+02    1.53108e+02    3.66614e-06

           Step           Time
      229625000   459250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40192e+03    1.83886e+04    1.22881e+04    9.99817e+02   -2.89675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55747e+03    1.04173e+05    2.80179e+05   -1.71892e+04   -2.15456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19176e+04   -1.73474e+06    3.46363e+05   -1.38838e+06   -2.98639e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10847e+02   -2.11989e+02   -1.34420e+01    3.66515e-06

           Step           Time
      229630000   459260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56331e+03    1.82934e+04    1.24115e+04    1.08471e+03   -2.91562e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45375e+03    1.04035e+05    2.77175e+05   -1.71620e+04   -2.14958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19551e+04   -1.73269e+06    3.46599e+05   -1.38609e+06   -2.98155e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11059e+02   -2.11319e+02   -1.38648e+02    3.62896e-06

           Step           Time
      229635000   459270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70358e+03    1.85713e+04    1.24923e+04    1.07947e+03   -2.88169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43367e+03    1.04124e+05    2.79878e+05   -1.71634e+04   -2.15408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20064e+04   -1.73384e+06    3.47134e+05   -1.38670e+06   -2.97705e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11540e+02   -2.11354e+02   -4.53768e+01    3.68366e-06

           Step           Time
      229640000   459280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50024e+03    1.82124e+04    1.25877e+04    1.09880e+03   -2.94985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50088e+03    1.03722e+05    2.79077e+05   -1.71947e+04   -2.15257e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20192e+04   -1.73400e+06    3.46990e+05   -1.38701e+06   -2.97834e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11410e+02   -2.12126e+02    6.06307e+00    3.75495e-06

           Step           Time
      229645000   459290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76137e+03    1.84164e+04    1.22773e+04    1.02734e+03   -2.88249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40410e+03    1.03052e+05    2.79920e+05   -1.71821e+04   -2.15566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21331e+04   -1.73673e+06    3.45946e+05   -1.39079e+06   -2.97569e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10473e+02   -2.11814e+02   -9.92389e+01    3.56330e-06

           Step           Time
      229650000   459300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56664e+03    1.82916e+04    1.22988e+04    1.05940e+03   -2.79744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49993e+03    1.03859e+05    2.77762e+05   -1.72208e+04   -2.15237e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18555e+04   -1.73519e+06    3.44824e+05   -1.39037e+06   -2.97634e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09467e+02   -2.12769e+02   -1.23869e+02    3.50628e-06

           Step           Time
      229655000   459310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60066e+03    1.80921e+04    1.22762e+04    1.04416e+03   -2.79586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32417e+03    1.03979e+05    2.80285e+05   -1.71939e+04   -2.15623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21294e+04   -1.73649e+06    3.45761e+05   -1.39073e+06   -2.97532e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10307e+02   -2.12105e+02   -1.40187e+02    3.50657e-06

           Step           Time
      229660000   459320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45294e+03    1.82565e+04    1.24115e+04    1.08715e+03   -2.89247e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37080e+03    1.03641e+05    2.80770e+05   -1.71582e+04   -2.15464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19002e+04   -1.73480e+06    3.46069e+05   -1.38873e+06   -2.96929e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10584e+02   -2.11225e+02   -1.35899e+01    3.57468e-06

           Step           Time
      229665000   459330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74782e+03    1.79756e+04    1.24991e+04    1.09042e+03   -2.89968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61660e+03    1.04386e+05    2.81706e+05   -1.71531e+04   -2.15604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20026e+04   -1.73407e+06    3.45711e+05   -1.38836e+06   -2.96329e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10262e+02   -2.11102e+02    1.95388e+01    3.51735e-06

           Step           Time
      229670000   459340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64409e+03    1.79646e+04    1.23903e+04    1.11447e+03   -2.83859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37318e+03    1.04166e+05    2.79392e+05   -1.72285e+04   -2.15345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19496e+04   -1.73452e+06    3.47453e+05   -1.38707e+06   -2.96732e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11826e+02   -2.12959e+02   -9.08383e+01    3.52897e-06

           Step           Time
      229675000   459350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88367e+03    1.83740e+04    1.23085e+04    1.06044e+03   -2.92915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38973e+03    1.03945e+05    2.78591e+05   -1.71547e+04   -2.15082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21036e+04   -1.73225e+06    3.47998e+05   -1.38425e+06   -2.96150e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12314e+02   -2.11140e+02   -8.54375e+01    3.71029e-06

           Step           Time
      229680000   459360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66983e+03    1.84107e+04    1.23426e+04    1.08895e+03   -2.93311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48450e+03    1.03757e+05    2.78434e+05   -1.71450e+04   -2.14734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23491e+04   -1.72888e+06    3.47003e+05   -1.38188e+06   -2.95864e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11422e+02   -2.10903e+02   -4.88615e+01    3.70415e-06

           Step           Time
      229685000   459370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47612e+03    1.86401e+04    1.24249e+04    1.04883e+03   -3.03753e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46705e+03    1.03716e+05    2.79902e+05   -1.71821e+04   -2.15272e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19331e+04   -1.73333e+06    3.47700e+05   -1.38563e+06   -2.95888e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12047e+02   -2.11815e+02    6.50230e+01    3.61849e-06

           Step           Time
      229690000   459380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59115e+03    1.82693e+04    1.24267e+04    1.06065e+03   -2.96970e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58231e+03    1.03936e+05    2.81880e+05   -1.72145e+04   -2.15346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21682e+04   -1.73173e+06    3.46308e+05   -1.38542e+06   -2.95392e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10798e+02   -2.12613e+02    1.28688e+02    3.65748e-06

           Step           Time
      229695000   459390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54122e+03    1.83169e+04    1.23431e+04    1.11970e+03   -2.91894e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44631e+03    1.03832e+05    2.78688e+05   -1.71886e+04   -2.15195e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20388e+04   -1.73373e+06    3.48996e+05   -1.38473e+06   -2.95549e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13211e+02   -2.11975e+02   -1.02233e+02    3.53438e-06

           Step           Time
      229700000   459400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32427e+03    1.82434e+04    1.21489e+04    9.98115e+02   -2.74796e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58546e+03    1.03820e+05    2.81376e+05   -1.71930e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18964e+04   -1.73510e+06    3.46998e+05   -1.38811e+06   -2.95034e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11417e+02   -2.12083e+02    7.21031e+01    3.61996e-06

           Step           Time
      229705000   459410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49327e+03    1.79069e+04    1.22655e+04    1.06070e+03   -2.75464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48563e+03    1.04482e+05    2.77591e+05   -1.71918e+04   -2.15279e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20324e+04   -1.73542e+06    3.46731e+05   -1.38869e+06   -2.95174e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11178e+02   -2.12052e+02   -9.19269e+01    3.66288e-06

Writing checkpoint, step 229706500 at Fri Dec  1 21:38:07 2023


           Step           Time
      229710000   459420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44012e+03    1.84071e+04    1.23338e+04    1.14452e+03   -2.87549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45024e+03    1.03942e+05    2.82539e+05   -1.71714e+04   -2.15723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20276e+04   -1.73499e+06    3.46950e+05   -1.38804e+06   -2.94406e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11374e+02   -2.11551e+02    4.74420e+01    3.38978e-06

           Step           Time
      229715000   459430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64443e+03    1.82457e+04    1.24077e+04    1.10582e+03   -2.86975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54832e+03    1.03781e+05    2.81156e+05   -1.72094e+04   -2.15653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20387e+04   -1.73569e+06    3.48214e+05   -1.38747e+06   -2.94182e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12508e+02   -2.12488e+02   -6.69450e+00    3.60055e-06

           Step           Time
      229720000   459440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48478e+03    1.83963e+04    1.23666e+04    1.11386e+03   -2.87986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51342e+03    1.04163e+05    2.82755e+05   -1.71799e+04   -2.15737e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19937e+04   -1.73464e+06    3.46831e+05   -1.38781e+06   -2.94131e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11267e+02   -2.11760e+02    1.19572e+02    3.56979e-06

           Step           Time
      229725000   459450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59827e+03    1.84354e+04    1.24047e+04    1.17333e+03   -2.86178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48003e+03    1.04061e+05    2.79903e+05   -1.71963e+04   -2.15529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19488e+04   -1.73534e+06    3.48496e+05   -1.38685e+06   -2.93978e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12761e+02   -2.12165e+02    2.24614e+00    3.57127e-06

           Step           Time
      229730000   459460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47957e+03    1.84731e+04    1.22069e+04    1.07935e+03   -2.87192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39965e+03    1.03653e+05    2.81890e+05   -1.71668e+04   -2.15661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20355e+04   -1.73543e+06    3.44081e+05   -1.39135e+06   -2.93528e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08799e+02   -2.11437e+02    1.49502e+01    3.48342e-06

           Step           Time
      229735000   459470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38228e+03    1.82290e+04    1.25527e+04    1.05462e+03   -2.94622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58906e+03    1.03842e+05    2.80671e+05   -1.71641e+04   -2.15564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18791e+04   -1.73555e+06    3.44737e+05   -1.39081e+06   -2.93170e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09388e+02   -2.11371e+02    3.11814e+01    3.50841e-06

           Step           Time
      229740000   459480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65504e+03    1.84476e+04    1.22944e+04    1.14046e+03   -2.83347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53656e+03    1.03574e+05    2.80399e+05   -1.72078e+04   -2.15529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18041e+04   -1.73548e+06    3.48048e+05   -1.38743e+06   -2.92760e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12360e+02   -2.12449e+02    3.85284e-03    3.50811e-06

           Step           Time
      229745000   459490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44074e+03    1.82407e+04    1.23652e+04    1.13611e+03   -2.77729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59057e+03    1.04180e+05    2.78613e+05   -1.71622e+04   -2.15102e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21676e+04   -1.73222e+06    3.45431e+05   -1.38679e+06   -2.92315e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10011e+02   -2.11325e+02   -4.10865e+01    3.65946e-06

           Step           Time
      229750000   459500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66795e+03    1.82446e+04    1.23688e+04    1.03010e+03   -2.85059e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45077e+03    1.03800e+05    2.78737e+05   -1.71848e+04   -2.15401e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19797e+04   -1.73577e+06    3.46896e+05   -1.38887e+06   -2.92055e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11326e+02   -2.11881e+02   -8.60579e+01    3.57780e-06

           Step           Time
      229755000   459510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53506e+03    1.83259e+04    1.24563e+04    1.04153e+03   -2.91153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52267e+03    1.04019e+05    2.82559e+05   -1.72006e+04   -2.15736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22526e+04   -1.73476e+06    3.45130e+05   -1.38963e+06   -2.91544e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09741e+02   -2.12271e+02    1.01882e+02    3.54597e-06

           Step           Time
      229760000   459520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40140e+03    1.83423e+04    1.23336e+04    1.09836e+03   -2.86195e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53545e+03    1.03967e+05    2.81512e+05   -1.72200e+04   -2.15758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19988e+04   -1.73648e+06    3.45570e+05   -1.39091e+06   -2.91151e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10136e+02   -2.12749e+02    6.24859e+01    3.58616e-06

           Step           Time
      229765000   459530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42604e+03    1.80093e+04    1.24248e+04    1.10117e+03   -2.83314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58376e+03    1.04518e+05    2.82429e+05   -1.71536e+04   -2.15569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19197e+04   -1.73327e+06    3.45260e+05   -1.38801e+06   -2.90736e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09857e+02   -2.11112e+02    7.30380e+01    3.60885e-06

           Step           Time
      229770000   459540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.18312e+03    1.80359e+04    1.23794e+04    1.13395e+03   -2.74458e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51860e+03    1.04180e+05    2.79419e+05   -1.72169e+04   -2.15448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20594e+04   -1.73553e+06    3.43897e+05   -1.39163e+06   -2.90976e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08634e+02   -2.12673e+02   -1.62097e+01    3.45138e-06

           Step           Time
      229775000   459550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40476e+03    1.82278e+04    1.24863e+04    1.00632e+03   -3.01790e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46034e+03    1.04220e+05    2.80498e+05   -1.72075e+04   -2.15523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17928e+04   -1.73536e+06    3.45356e+05   -1.39001e+06   -2.90911e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09944e+02   -2.12441e+02    1.71431e+01    3.46097e-06

           Step           Time
      229780000   459560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42638e+03    1.81742e+04    1.24098e+04    1.01404e+03   -2.97517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60501e+03    1.03678e+05    2.80579e+05   -1.72107e+04   -2.15590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18610e+04   -1.73634e+06    3.45816e+05   -1.39052e+06   -2.90360e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10357e+02   -2.12519e+02    3.74935e+01    3.49884e-06

           Step           Time
      229785000   459570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53105e+03    1.82057e+04    1.24931e+04    1.08223e+03   -2.93531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51795e+03    1.04084e+05    2.81161e+05   -1.71737e+04   -2.15683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18430e+04   -1.73602e+06    3.46571e+05   -1.38945e+06   -2.90304e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11034e+02   -2.11607e+02   -4.81734e+01    3.55376e-06

           Step           Time
      229790000   459580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65543e+03    1.83526e+04    1.23604e+04    1.07935e+03   -2.87236e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51171e+03    1.04063e+05    2.82442e+05   -1.71295e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19757e+04   -1.73480e+06    3.46232e+05   -1.38857e+06   -2.89902e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10730e+02   -2.10522e+02    3.82389e+01    3.61102e-06

           Step           Time
      229795000   459590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76242e+03    1.80711e+04    1.22688e+04    1.09925e+03   -2.94708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47487e+03    1.04039e+05    2.79969e+05   -1.71579e+04   -2.15396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22074e+04   -1.73418e+06    3.45788e+05   -1.38839e+06   -2.89461e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10331e+02   -2.11218e+02   -1.00203e+02    3.59162e-06

           Step           Time
      229800000   459600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52292e+03    1.83876e+04    1.22663e+04    1.05777e+03   -2.90937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48351e+03    1.04016e+05    2.80721e+05   -1.71919e+04   -2.15593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21107e+04   -1.73547e+06    3.43806e+05   -1.39166e+06   -2.89169e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08553e+02   -2.12056e+02   -1.32031e+01    3.49571e-06

           Step           Time
      229805000   459610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49792e+03    1.85048e+04    1.22863e+04    1.01892e+03   -2.89881e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41885e+03    1.04167e+05    2.79950e+05   -1.71925e+04   -2.15330e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19407e+04   -1.73361e+06    3.47254e+05   -1.38636e+06   -2.89369e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11647e+02   -2.12069e+02   -2.43390e+01    3.47554e-06

           Step           Time
      229810000   459620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75277e+03    1.82074e+04    1.25061e+04    1.10878e+03   -2.95081e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48743e+03    1.03757e+05    2.80856e+05   -1.71956e+04   -2.15388e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20021e+04   -1.73335e+06    3.47440e+05   -1.38591e+06   -2.88876e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11814e+02   -2.12146e+02   -2.14768e+01    3.57086e-06

           Step           Time
      229815000   459630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29275e+03    1.79901e+04    1.21796e+04    1.07252e+03   -2.86155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48213e+03    1.04566e+05    2.83830e+05   -1.72187e+04   -2.16300e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19554e+04   -1.73971e+06    3.45015e+05   -1.39470e+06   -2.88932e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09637e+02   -2.12717e+02    3.44840e+01    3.50340e-06

           Step           Time
      229820000   459640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44939e+03    1.81977e+04    1.23656e+04    1.02907e+03   -2.81763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51700e+03    1.04347e+05    2.81140e+05   -1.71878e+04   -2.15522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20332e+04   -1.73414e+06    3.44996e+05   -1.38915e+06   -2.88306e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09620e+02   -2.11954e+02    2.87364e+01    3.63908e-06

           Step           Time
      229825000   459650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25226e+03    1.86053e+04    1.25181e+04    1.06800e+03   -2.97947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47991e+03    1.03940e+05    2.82175e+05   -1.71867e+04   -2.15727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19714e+04   -1.73542e+06    3.45020e+05   -1.39040e+06   -2.88344e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09642e+02   -2.11929e+02    5.75530e+01    3.60888e-06

           Step           Time
      229830000   459660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64682e+03    1.83476e+04    1.24044e+04    1.09999e+03   -2.96873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48593e+03    1.03766e+05    2.78520e+05   -1.71936e+04   -2.15309e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20351e+04   -1.73495e+06    3.47211e+05   -1.38774e+06   -2.88101e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11608e+02   -2.12098e+02   -7.85875e+01    3.63541e-06

           Step           Time
      229835000   459670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75129e+03    1.83902e+04    1.23536e+04    1.02778e+03   -2.93476e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40640e+03    1.03672e+05    2.80024e+05   -1.71838e+04   -2.15633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20009e+04   -1.73682e+06    3.45125e+05   -1.39170e+06   -2.87392e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09736e+02   -2.11856e+02   -7.64393e+01    3.54215e-06

           Step           Time
      229840000   459680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43989e+03    1.82461e+04    1.22970e+04    1.08744e+03   -2.85783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57970e+03    1.03717e+05    2.81667e+05   -1.71831e+04   -2.15663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19135e+04   -1.73573e+06    3.47403e+05   -1.38832e+06   -2.87798e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11781e+02   -2.11839e+02    5.55426e+01    3.61185e-06

           Step           Time
      229845000   459690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54970e+03    1.80253e+04    1.24456e+04    1.06642e+03   -2.98769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52400e+03    1.03889e+05    2.82935e+05   -1.72161e+04   -2.15870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19728e+04   -1.73649e+06    3.45828e+05   -1.39066e+06   -2.87322e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10368e+02   -2.12653e+02    8.98024e+01    3.54093e-06

           Step           Time
      229850000   459700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52840e+03    1.81137e+04    1.23520e+04    1.09210e+03   -2.91633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43625e+03    1.03635e+05    2.81146e+05   -1.72077e+04   -2.15898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20672e+04   -1.73873e+06    3.46696e+05   -1.39203e+06   -2.87478e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11146e+02   -2.12446e+02   -7.36984e+01    3.69762e-06

           Step           Time
      229855000   459710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52813e+03    1.84793e+04    1.23047e+04    1.01451e+03   -2.90127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46763e+03    1.03579e+05    2.80031e+05   -1.71650e+04   -2.15348e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20196e+04   -1.73413e+06    3.46691e+05   -1.38743e+06   -2.87294e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11142e+02   -2.11393e+02   -6.61381e+01    3.50989e-06

           Step           Time
      229860000   459720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58374e+03    1.84061e+04    1.22077e+04    1.11473e+03   -2.93649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43681e+03    1.04113e+05    2.81239e+05   -1.71714e+04   -2.15675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18545e+04   -1.73591e+06    3.46104e+05   -1.38980e+06   -2.86944e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10614e+02   -2.11551e+02   -4.98321e+01    3.47205e-06

           Step           Time
      229865000   459730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45920e+03    1.80113e+04    1.24661e+04    1.13231e+03   -3.02451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42161e+03    1.04069e+05    2.79999e+05   -1.71654e+04   -2.15468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21112e+04   -1.73520e+06    3.46349e+05   -1.38885e+06   -2.87142e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10834e+02   -2.11403e+02   -4.20386e+01    3.60363e-06

           Step           Time
      229870000   459740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36295e+03    1.80304e+04    1.23513e+04    1.09020e+03   -2.83887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61379e+03    1.04281e+05    2.82787e+05   -1.71899e+04   -2.15810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19402e+04   -1.73567e+06    3.47683e+05   -1.38799e+06   -2.86570e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12032e+02   -2.12006e+02    1.81820e+02    3.58892e-06

           Step           Time
      229875000   459750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58280e+03    1.83182e+04    1.21797e+04    1.07796e+03   -2.89174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51979e+03    1.03827e+05    2.79360e+05   -1.72043e+04   -2.15454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18706e+04   -1.73590e+06    3.46269e+05   -1.38963e+06   -2.86149e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10763e+02   -2.12360e+02   -6.87747e+01    3.55568e-06

           Step           Time
      229880000   459760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67916e+03    1.85877e+04    1.22263e+04    9.53968e+02   -2.88982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.26938e+03    1.03192e+05    2.82426e+05   -1.71688e+04   -2.15536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19875e+04   -1.73409e+06    3.45540e+05   -1.38855e+06   -2.85824e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10109e+02   -2.11486e+02   -1.03542e+01    3.49897e-06

           Step           Time
      229885000   459770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66937e+03    1.85104e+04    1.23606e+04    1.04010e+03   -2.89678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45918e+03    1.03514e+05    2.83712e+05   -1.71796e+04   -2.15673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19603e+04   -1.73358e+06    3.48262e+05   -1.38531e+06   -2.85444e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12551e+02   -2.11752e+02    1.03707e+02    3.75982e-06

           Step           Time
      229890000   459780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42936e+03    1.81400e+04    1.22718e+04    1.01971e+03   -2.84505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42570e+03    1.04584e+05    2.78330e+05   -1.71464e+04   -2.15098e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20943e+04   -1.73268e+06    3.48433e+05   -1.38425e+06   -2.85890e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12705e+02   -2.10936e+02   -8.81926e+01    3.78271e-06

           Step           Time
      229895000   459790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61630e+03    1.81834e+04    1.23514e+04    1.03943e+03   -2.75150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42794e+03    1.04185e+05    2.82500e+05   -1.72179e+04   -2.15773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18481e+04   -1.73555e+06    3.46534e+05   -1.38902e+06   -2.84935e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11001e+02   -2.12698e+02    9.53787e+01    3.42158e-06

           Step           Time
      229900000   459800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41752e+03    1.79223e+04    1.23754e+04    1.10517e+03   -2.96456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57358e+03    1.04007e+05    2.79727e+05   -1.71465e+04   -2.15150e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20838e+04   -1.73239e+06    3.46288e+05   -1.38611e+06   -2.84989e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10780e+02   -2.10938e+02   -2.79069e+01    3.56311e-06

           Step           Time
      229905000   459810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52360e+03    1.80224e+04    1.22616e+04    1.03065e+03   -2.84842e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54765e+03    1.04286e+05    2.82650e+05   -1.71916e+04   -2.15695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19931e+04   -1.73467e+06    3.44535e+05   -1.39014e+06   -2.84655e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09207e+02   -2.12048e+02    1.01707e+02    3.60211e-06

           Step           Time
      229910000   459820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75291e+03    1.85282e+04    1.24786e+04    1.12165e+03   -3.06317e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34438e+03    1.03899e+05    2.79446e+05   -1.71611e+04   -2.15446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20864e+04   -1.73503e+06    3.48018e+05   -1.38701e+06   -2.84318e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12332e+02   -2.11298e+02   -5.24492e+01    3.47067e-06

           Step           Time
      229915000   459830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38245e+03    1.80420e+04    1.22925e+04    1.07151e+03   -2.92597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53766e+03    1.04402e+05    2.77129e+05   -1.71881e+04   -2.15401e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20057e+04   -1.73726e+06    3.46735e+05   -1.39052e+06   -2.84196e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11181e+02   -2.11961e+02   -1.50397e+02    3.58858e-06

           Step           Time
      229920000   459840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46174e+03    1.82443e+04    1.23842e+04    1.09163e+03   -2.92211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59397e+03    1.04091e+05    2.82956e+05   -1.71944e+04   -2.15902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17732e+04   -1.73654e+06    3.47877e+05   -1.38866e+06   -2.83831e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12206e+02   -2.12118e+02    7.43602e+01    3.57652e-06

           Step           Time
      229925000   459850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57540e+03    1.82861e+04    1.23430e+04    1.14064e+03   -2.89780e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53081e+03    1.04247e+05    2.81094e+05   -1.72164e+04   -2.15726e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18226e+04   -1.73633e+06    3.46743e+05   -1.38959e+06   -2.83084e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11188e+02   -2.12659e+02    2.19717e+01    3.64449e-06

           Step           Time
      229930000   459860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33504e+03    1.80489e+04    1.24559e+04    1.07660e+03   -2.98917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39276e+03    1.04266e+05    2.81994e+05   -1.71825e+04   -2.15634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21248e+04   -1.73482e+06    3.47323e+05   -1.38750e+06   -2.83230e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11709e+02   -2.11824e+02    1.78303e+01    3.54706e-06

           Step           Time
      229935000   459870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.22173e+03    1.78853e+04    1.24472e+04    1.06421e+03   -2.87974e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55732e+03    1.04247e+05    2.80593e+05   -1.71868e+04   -2.15547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19831e+04   -1.73554e+06    3.44890e+05   -1.39065e+06   -2.83004e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09525e+02   -2.11931e+02    2.12253e+01    3.55925e-06

           Step           Time
      229940000   459880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20588e+03    1.83965e+04    1.24971e+04    1.07368e+03   -2.96677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56282e+03    1.04382e+05    2.83476e+05   -1.71783e+04   -2.15948e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21869e+04   -1.73584e+06    3.47874e+05   -1.38797e+06   -2.82589e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12203e+02   -2.11721e+02    1.45724e+02    3.57149e-06

           Step           Time
      229945000   459890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58340e+03    1.81228e+04    1.24439e+04    1.03315e+03   -2.89277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58179e+03    1.04148e+05    2.81796e+05   -1.71796e+04   -2.15541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19986e+04   -1.73377e+06    3.47716e+05   -1.38606e+06   -2.82399e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12061e+02   -2.11753e+02    3.18229e+01    3.59633e-06

           Step           Time
      229950000   459900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74781e+03    1.79826e+04    1.24127e+04    1.13829e+03   -2.83955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46259e+03    1.04148e+05    2.78460e+05   -1.71971e+04   -2.15124e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20733e+04   -1.73285e+06    3.45735e+05   -1.38711e+06   -2.81901e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10284e+02   -2.12183e+02   -5.37424e+01    3.49014e-06

           Step           Time
      229955000   459910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70800e+03    1.80540e+04    1.23592e+04    1.08552e+03   -2.85734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52153e+03    1.03993e+05    2.84370e+05   -1.71643e+04   -2.15954e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20802e+04   -1.73539e+06    3.46938e+05   -1.38845e+06   -2.81539e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11363e+02   -2.11377e+02    1.01773e+02    3.60281e-06

           Step           Time
      229960000   459920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55401e+03    1.81210e+04    1.23694e+04    1.08574e+03   -2.74999e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55280e+03    1.04495e+05    2.81849e+05   -1.72464e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19202e+04   -1.73510e+06    3.46198e+05   -1.38891e+06   -2.80989e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10700e+02   -2.13401e+02    1.31934e+02    3.56882e-06

           Step           Time
      229965000   459930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65327e+03    1.81506e+04    1.24272e+04    1.13569e+03   -2.91845e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53002e+03    1.03932e+05    2.81516e+05   -1.71694e+04   -2.15605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20570e+04   -1.73474e+06    3.48202e+05   -1.38654e+06   -2.80938e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12497e+02   -2.11501e+02    5.01506e+01    3.67132e-06

           Step           Time
      229970000   459940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57511e+03    1.82765e+04    1.22668e+04    1.05764e+03   -2.68554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52864e+03    1.04320e+05    2.81739e+05   -1.71848e+04   -2.15646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20075e+04   -1.73456e+06    3.46710e+05   -1.38785e+06   -2.80430e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11159e+02   -2.11880e+02    5.14828e+01    3.59145e-06

           Step           Time
      229975000   459950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27540e+03    1.80925e+04    1.24429e+04    1.00027e+03   -2.78479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59356e+03    1.04249e+05    2.81385e+05   -1.72197e+04   -2.15933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18798e+04   -1.73841e+06    3.46677e+05   -1.39173e+06   -2.80836e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11129e+02   -2.12740e+02    8.08397e+01    3.56385e-06

           Step           Time
      229980000   459960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41475e+03    1.82725e+04    1.24331e+04    1.10680e+03   -3.00270e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56186e+03    1.04209e+05    2.80138e+05   -1.71704e+04   -2.15324e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19290e+04   -1.73335e+06    3.46528e+05   -1.38682e+06   -2.80094e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10995e+02   -2.11525e+02    5.68363e-01    3.75549e-06

           Step           Time
      229985000   459970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54246e+03    1.84401e+04    1.24294e+04    1.06048e+03   -2.89654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48309e+03    1.04112e+05    2.81694e+05   -1.71946e+04   -2.15642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19235e+04   -1.73482e+06    3.45876e+05   -1.38895e+06   -2.79688e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10410e+02   -2.12122e+02    8.19464e+01    3.65403e-06

           Step           Time
      229990000   459980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54422e+03    1.82632e+04    1.23724e+04    1.05182e+03   -2.86631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45073e+03    1.04263e+05    2.84199e+05   -1.72366e+04   -2.16022e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18173e+04   -1.73636e+06    3.45294e+05   -1.39106e+06   -2.78891e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09888e+02   -2.13158e+02    1.37839e+02    3.48324e-06

           Step           Time
      229995000   459990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37550e+03    1.83669e+04    1.23031e+04    1.16665e+03   -2.80099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47726e+03    1.04262e+05    2.77829e+05   -1.71360e+04   -2.15031e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19482e+04   -1.73251e+06    3.46801e+05   -1.38571e+06   -2.79452e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11240e+02   -2.10681e+02   -7.14545e+01    3.61757e-06

           Step           Time
      230000000   460000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62101e+03    1.85367e+04    1.22918e+04    1.11428e+03   -2.92104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34611e+03    1.04154e+05    2.79767e+05   -1.72089e+04   -2.15328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21580e+04   -1.73342e+06    3.47181e+05   -1.38624e+06   -2.78812e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11581e+02   -2.12474e+02   -3.86772e+01    3.49948e-06

           Step           Time
      230005000   460010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72330e+03    1.84007e+04    1.23514e+04    1.00956e+03   -2.82746e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40367e+03    1.03881e+05    2.79718e+05   -1.71904e+04   -2.15147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21150e+04   -1.73188e+06    3.45013e+05   -1.38687e+06   -2.77918e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09636e+02   -2.12018e+02   -6.43518e+01    3.59189e-06

           Step           Time
      230010000   460020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45923e+03    1.82192e+04    1.24575e+04    1.05722e+03   -2.89510e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44065e+03    1.04265e+05    2.82068e+05   -1.72168e+04   -2.15743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17512e+04   -1.73583e+06    3.47521e+05   -1.38831e+06   -2.78811e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11887e+02   -2.12671e+02    1.14193e+02    3.60968e-06

           Step           Time
      230015000   460030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50565e+03    1.79557e+04    1.23548e+04    1.07096e+03   -2.87092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66275e+03    1.04164e+05    2.79903e+05   -1.71417e+04   -2.15306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20624e+04   -1.73340e+06    3.47701e+05   -1.38569e+06   -2.78048e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12048e+02   -2.10820e+02   -3.09184e+01    3.58168e-06

           Step           Time
      230020000   460040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62468e+03    1.85592e+04    1.24206e+04    1.07621e+03   -3.04908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41122e+03    1.03955e+05    2.80233e+05   -1.71707e+04   -2.15639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20452e+04   -1.73629e+06    3.47799e+05   -1.38849e+06   -2.77986e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12136e+02   -2.11533e+02   -7.33930e+01    3.66686e-06

           Step           Time
      230025000   460050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58252e+03    1.88354e+04    1.22329e+04    9.92379e+02   -2.98921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.31207e+03    1.03859e+05    2.80210e+05   -1.71678e+04   -2.15442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19892e+04   -1.73456e+06    3.47288e+05   -1.38727e+06   -2.77854e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11677e+02   -2.11462e+02   -8.69693e+01    3.77863e-06

           Step           Time
      230030000   460060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63488e+03    1.88483e+04    1.25593e+04    1.05848e+03   -3.03423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54076e+03    1.03329e+05    2.79475e+05   -1.71499e+04   -2.15125e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19526e+04   -1.73203e+06    3.47111e+05   -1.38492e+06   -2.77384e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11518e+02   -2.11021e+02   -3.38808e+01    3.40512e-06

           Step           Time
      230035000   460070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64094e+03    1.81459e+04    1.23826e+04    1.04649e+03   -3.04848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42854e+03    1.04101e+05    2.79719e+05   -1.71665e+04   -2.15436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19790e+04   -1.73513e+06    3.46231e+05   -1.38890e+06   -2.77258e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10729e+02   -2.11429e+02   -7.99776e+01    3.66302e-06

           Step           Time
      230040000   460080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70651e+03    1.79629e+04    1.24224e+04    1.02921e+03   -2.99316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40446e+03    1.04012e+05    2.80764e+05   -1.72034e+04   -2.15857e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19421e+04   -1.73852e+06    3.47338e+05   -1.39118e+06   -2.76926e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11722e+02   -2.12338e+02   -9.54960e+01    3.47809e-06

           Step           Time
      230045000   460090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55734e+03    1.82421e+04    1.23107e+04    9.96476e+02   -2.91546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44977e+03    1.03688e+05    2.79139e+05   -1.71866e+04   -2.15232e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19593e+04   -1.73408e+06    3.47001e+05   -1.38708e+06   -2.76566e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11420e+02   -2.11925e+02   -7.10427e+01    3.50673e-06

           Step           Time
      230050000   460100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33245e+03    1.81518e+04    1.24800e+04    1.00537e+03   -2.95202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44958e+03    1.04198e+05    2.82949e+05   -1.71876e+04   -2.15769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18814e+04   -1.73538e+06    3.45426e+05   -1.38996e+06   -2.75950e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10006e+02   -2.11950e+02    4.01876e+01    3.46506e-06

           Step           Time
      230055000   460110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58974e+03    1.83540e+04    1.25842e+04    1.18823e+03   -3.05800e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52996e+03    1.04138e+05    2.79434e+05   -1.72391e+04   -2.15215e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19834e+04   -1.73264e+06    3.45655e+05   -1.38699e+06   -2.75381e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10212e+02   -2.13220e+02    3.20936e+01    3.64614e-06

           Step           Time
      230060000   460120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57813e+03    1.80713e+04    1.24934e+04    1.16152e+03   -2.87978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54169e+03    1.04218e+05    2.80560e+05   -1.71455e+04   -2.15147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21139e+04   -1.73076e+06    3.46308e+05   -1.38445e+06   -2.74974e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10798e+02   -2.10913e+02    4.91570e+01    3.53762e-06

           Step           Time
      230065000   460130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46835e+03    1.81446e+04    1.24720e+04    1.10126e+03   -3.03169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57666e+03    1.03843e+05    2.79529e+05   -1.71746e+04   -2.15363e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21443e+04   -1.73456e+06    3.47839e+05   -1.38672e+06   -2.74854e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12172e+02   -2.11631e+02   -4.24164e+01    3.57178e-06

           Step           Time
      230070000   460140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46050e+03    1.83806e+04    1.26200e+04    1.06411e+03   -2.95909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56677e+03    1.03724e+05    2.80968e+05   -1.71800e+04   -2.15542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19464e+04   -1.73483e+06    3.45311e+05   -1.38951e+06   -2.74509e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09904e+02   -2.11762e+02   -2.48400e+01    3.60271e-06

           Step           Time
      230075000   460150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55863e+03    1.83057e+04    1.24853e+04    1.10469e+03   -3.01202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50229e+03    1.03545e+05    2.80451e+05   -1.71906e+04   -2.15452e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19870e+04   -1.73478e+06    3.47203e+05   -1.38758e+06   -2.74611e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11601e+02   -2.12023e+02    1.86711e+00    3.59704e-06

           Step           Time
      230080000   460160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70261e+03    1.79746e+04    1.23030e+04    1.02933e+03   -2.97605e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49765e+03    1.03281e+05    2.81037e+05   -1.71899e+04   -2.15663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19609e+04   -1.73701e+06    3.45543e+05   -1.39147e+06   -2.73830e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10112e+02   -2.12006e+02   -7.68239e+01    3.58000e-06

           Step           Time
      230085000   460170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69308e+03    1.76715e+04    1.25127e+04    1.06210e+03   -2.90195e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48719e+03    1.03629e+05    2.80770e+05   -1.72093e+04   -2.15623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19205e+04   -1.73660e+06    3.48102e+05   -1.38849e+06   -2.74440e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12408e+02   -2.12484e+02   -2.99291e+01    3.63410e-06

           Step           Time
      230090000   460180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67201e+03    1.78604e+04    1.24581e+04    1.10245e+03   -2.97969e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44354e+03    1.03523e+05    2.81646e+05   -1.72136e+04   -2.15595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19659e+04   -1.73547e+06    3.45819e+05   -1.38965e+06   -2.73339e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10359e+02   -2.12591e+02    2.09354e+01    3.59393e-06

           Step           Time
      230095000   460190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53650e+03    1.82832e+04    1.25713e+04    1.03711e+03   -2.91213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43906e+03    1.03644e+05    2.80745e+05   -1.72067e+04   -2.15493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20359e+04   -1.73476e+06    3.48104e+05   -1.38665e+06   -2.73444e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12410e+02   -2.12420e+02    1.22961e+00    3.66398e-06

           Step           Time
      230100000   460200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55426e+03    1.84175e+04    1.25151e+04    1.08032e+03   -3.03459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47770e+03    1.03587e+05    2.81096e+05   -1.72111e+04   -2.15619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20196e+04   -1.73569e+06    3.46573e+05   -1.38912e+06   -2.73091e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11036e+02   -2.12530e+02   -3.70843e+00    3.56280e-06

           Step           Time
      230105000   460210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43808e+03    1.79978e+04    1.23876e+04    1.07561e+03   -2.76608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64311e+03    1.03461e+05    2.82470e+05   -1.71964e+04   -2.15691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21206e+04   -1.73528e+06    3.46604e+05   -1.38867e+06   -2.72591e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11063e+02   -2.12166e+02    9.80545e+01    3.61524e-06

           Step           Time
      230110000   460220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51742e+03    1.83673e+04    1.23773e+04    1.08958e+03   -2.91093e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56603e+03    1.04322e+05    2.82248e+05   -1.71693e+04   -2.15699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20957e+04   -1.73448e+06    3.45692e+05   -1.38879e+06   -2.72005e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10245e+02   -2.11500e+02    9.40765e+01    3.62974e-06

           Step           Time
      230115000   460230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41333e+03    1.80801e+04    1.24953e+04    1.11364e+03   -2.85578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57744e+03    1.03321e+05    2.81570e+05   -1.71792e+04   -2.15510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21869e+04   -1.73438e+06    3.46646e+05   -1.38774e+06   -2.72348e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11101e+02   -2.11743e+02    1.68667e+01    3.56094e-06

           Step           Time
      230120000   460240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59314e+03    1.83285e+04    1.23917e+04    1.08475e+03   -2.87348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57968e+03    1.03588e+05    2.79174e+05   -1.71755e+04   -2.15160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22391e+04   -1.73267e+06    3.47175e+05   -1.38550e+06   -2.71884e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11576e+02   -2.11653e+02   -2.52008e+01    3.63219e-06

           Step           Time
      230125000   460250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24789e+03    1.86936e+04    1.25546e+04    1.12143e+03   -2.79894e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61641e+03    1.03278e+05    2.83347e+05   -1.72332e+04   -2.15792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20356e+04   -1.73506e+06    3.46838e+05   -1.38822e+06   -2.71761e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11274e+02   -2.13074e+02    1.40585e+02    3.49959e-06

           Step           Time
      230130000   460260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70491e+03    1.81515e+04    1.22893e+04    1.01827e+03   -2.87872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35176e+03    1.03579e+05    2.82778e+05   -1.72304e+04   -2.15600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20397e+04   -1.73419e+06    3.47073e+05   -1.38712e+06   -2.71606e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11485e+02   -2.13006e+02    1.23315e+02    3.72812e-06

           Step           Time
      230135000   460270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58160e+03    1.81766e+04    1.23795e+04    1.02115e+03   -2.83135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57419e+03    1.03809e+05    2.80526e+05   -1.71892e+04   -2.15177e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20263e+04   -1.73170e+06    3.47111e+05   -1.38459e+06   -2.71199e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11518e+02   -2.11988e+02    9.44364e+01    3.71762e-06

           Step           Time
      230140000   460280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67326e+03    1.84459e+04    1.22590e+04    1.07140e+03   -2.92940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50092e+03    1.03243e+05    2.80437e+05   -1.71974e+04   -2.15367e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19316e+04   -1.73423e+06    3.46606e+05   -1.38763e+06   -2.70715e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11065e+02   -2.12192e+02   -9.59537e+01    3.45219e-06

           Step           Time
      230145000   460290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46330e+03    1.81905e+04    1.22983e+04    1.02839e+03   -2.74808e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56432e+03    1.03639e+05    2.78817e+05   -1.72078e+04   -2.15265e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19453e+04   -1.73466e+06    3.44665e+05   -1.39000e+06   -2.70231e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09324e+02   -2.12448e+02   -6.34610e+01    3.54279e-06

           Step           Time
      230150000   460300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76719e+03    1.86381e+04    1.23968e+04    1.12091e+03   -2.80237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38426e+03    1.03900e+05    2.82622e+05   -1.71851e+04   -2.15746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20167e+04   -1.73460e+06    3.48851e+05   -1.38575e+06   -2.70196e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13081e+02   -2.11889e+02   -2.12151e+01    3.52985e-06

           Step           Time
      230155000   460310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47011e+03    1.84970e+04    1.24500e+04    1.04010e+03   -2.84424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42674e+03    1.03651e+05    2.80158e+05   -1.72227e+04   -2.15487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19846e+04   -1.73526e+06    3.47227e+05   -1.38804e+06   -2.70125e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11622e+02   -2.12814e+02   -1.39548e+01    3.59221e-06

           Step           Time
      230160000   460320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67743e+03    1.77692e+04    1.23916e+04    1.04464e+03   -2.86949e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47501e+03    1.03978e+05    2.79638e+05   -1.71900e+04   -2.15505e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20806e+04   -1.73606e+06    3.47384e+05   -1.38867e+06   -2.69876e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11764e+02   -2.12010e+02   -1.19962e+02    3.52044e-06

           Step           Time
      230165000   460330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33106e+03    1.79958e+04    1.24053e+04    1.02946e+03   -2.79514e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50430e+03    1.03531e+05    2.81061e+05   -1.71871e+04   -2.15685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21762e+04   -1.73680e+06    3.45275e+05   -1.39152e+06   -2.69622e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09871e+02   -2.11937e+02   -5.46586e+01    3.55540e-06

           Step           Time
      230170000   460340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52997e+03    1.80768e+04    1.23919e+04    1.06955e+03   -2.86908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55185e+03    1.03349e+05    2.80573e+05   -1.71635e+04   -2.15345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20230e+04   -1.73392e+06    3.45664e+05   -1.38825e+06   -2.69015e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10220e+02   -2.11356e+02   -2.30592e+01    3.54793e-06

           Step           Time
      230175000   460350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61319e+03    1.85305e+04    1.23920e+04    1.19995e+03   -2.90423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52023e+03    1.03504e+05    2.81936e+05   -1.71860e+04   -2.15562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20898e+04   -1.73392e+06    3.47782e+05   -1.38614e+06   -2.68661e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12121e+02   -2.11911e+02    4.68765e+01    3.61570e-06

           Step           Time
      230180000   460360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63386e+03    1.83377e+04    1.23817e+04    1.10471e+03   -2.84016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44680e+03    1.03448e+05    2.81952e+05   -1.72150e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18624e+04   -1.73613e+06    3.47055e+05   -1.38908e+06   -2.68561e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11469e+02   -2.12626e+02    4.51814e+01    3.54962e-06

           Step           Time
      230185000   460370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58288e+03    1.86593e+04    1.24058e+04    1.13685e+03   -2.83528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54921e+03    1.03419e+05    2.79299e+05   -1.71552e+04   -2.15072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19176e+04   -1.73174e+06    3.46800e+05   -1.38494e+06   -2.68269e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11239e+02   -2.11152e+02   -8.40716e+01    3.54589e-06

           Step           Time
      230190000   460380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77263e+03    1.85491e+04    1.22580e+04    1.05433e+03   -2.78438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46189e+03    1.03507e+05    2.83284e+05   -1.72157e+04   -2.16130e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20442e+04   -1.73837e+06    3.48061e+05   -1.39030e+06   -2.67599e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12371e+02   -2.12642e+02    1.94722e+01    3.44564e-06

           Step           Time
      230195000   460390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65029e+03    1.84206e+04    1.23478e+04    1.02301e+03   -2.86367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39888e+03    1.03839e+05    2.82460e+05   -1.72017e+04   -2.15749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21127e+04   -1.73530e+06    3.46182e+05   -1.38912e+06   -2.67371e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10685e+02   -2.12298e+02    6.36935e+01    3.46574e-06

           Step           Time
      230200000   460400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62914e+03    1.80906e+04    1.23791e+04    1.09197e+03   -2.71972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47722e+03    1.03571e+05    2.82685e+05   -1.72046e+04   -2.15770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21230e+04   -1.73558e+06    3.46134e+05   -1.38944e+06   -2.67542e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10642e+02   -2.12368e+02    2.12629e+01    3.76688e-06

           Step           Time
      230205000   460410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63175e+03    1.82503e+04    1.22048e+04    1.00675e+03   -2.89182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47727e+03    1.03699e+05    2.79978e+05   -1.71817e+04   -2.15608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19324e+04   -1.73697e+06    3.48180e+05   -1.38879e+06   -2.67416e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12478e+02   -2.11805e+02   -1.08321e+02    3.37196e-06

           Step           Time
      230210000   460420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44132e+03    1.83285e+04    1.23243e+04    1.09847e+03   -2.86266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60480e+03    1.04055e+05    2.82861e+05   -1.72094e+04   -2.15669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20292e+04   -1.73402e+06    3.46829e+05   -1.38719e+06   -2.67002e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11265e+02   -2.12488e+02    2.07894e+02    3.59189e-06

           Step           Time
      230215000   460430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63494e+03    1.80654e+04    1.25220e+04    1.14028e+03   -2.84962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54965e+03    1.04029e+05    2.80867e+05   -1.72105e+04   -2.15575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19426e+04   -1.73506e+06    3.46962e+05   -1.38809e+06   -2.66870e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11385e+02   -2.12514e+02    1.70509e+01    3.58807e-06

           Step           Time
      230220000   460440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45158e+03    1.83673e+04    1.22371e+04    1.05253e+03   -2.95084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60207e+03    1.04070e+05    2.81028e+05   -1.71992e+04   -2.15467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19796e+04   -1.73403e+06    3.45357e+05   -1.38867e+06   -2.66186e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09945e+02   -2.12236e+02    5.03396e+01    3.52203e-06

           Step           Time
      230225000   460450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74419e+03    1.76377e+04    1.23114e+04    1.03088e+03   -2.86865e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45421e+03    1.03950e+05    2.81843e+05   -1.71895e+04   -2.15776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21171e+04   -1.73673e+06    3.44617e+05   -1.39212e+06   -2.66240e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09280e+02   -2.11996e+02    8.29698e+00    3.53906e-06

           Step           Time
      230230000   460460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52396e+03    1.80810e+04    1.22237e+04    1.04663e+03   -2.78959e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43524e+03    1.03721e+05    2.80349e+05   -1.71953e+04   -2.15549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19694e+04   -1.73612e+06    3.45838e+05   -1.39028e+06   -2.66032e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10376e+02   -2.12139e+02   -5.01334e+01    3.55618e-06

           Step           Time
      230235000   460470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56139e+03    1.83923e+04    1.23401e+04    1.06953e+03   -2.84048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58874e+03    1.03721e+05    2.80535e+05   -1.72236e+04   -2.15591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17436e+04   -1.73602e+06    3.48388e+05   -1.38763e+06   -2.65535e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12665e+02   -2.12838e+02    7.78934e+01    3.65410e-06

           Step           Time
      230240000   460480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46268e+03    1.83620e+04    1.23536e+04    1.09363e+03   -2.84588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53947e+03    1.04058e+05    2.79104e+05   -1.71692e+04   -2.15113e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21648e+04   -1.73200e+06    3.44854e+05   -1.38715e+06   -2.65245e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09493e+02   -2.11496e+02   -2.44708e+00    3.61774e-06

           Step           Time
      230245000   460490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55633e+03    1.82486e+04    1.23628e+04    1.11933e+03   -2.73627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44504e+03    1.03494e+05    2.79825e+05   -1.72066e+04   -2.15278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19890e+04   -1.73369e+06    3.46185e+05   -1.38750e+06   -2.65382e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10687e+02   -2.12417e+02   -4.23315e+01    3.68891e-06

           Step           Time
      230250000   460500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56987e+03    1.83861e+04    1.23338e+04    1.04908e+03   -2.83174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51178e+03    1.03660e+05    2.81866e+05   -1.71421e+04   -2.15687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21450e+04   -1.73533e+06    3.47137e+05   -1.38819e+06   -2.64652e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11542e+02   -2.10829e+02    5.29994e+01    3.60576e-06

           Step           Time
      230255000   460510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57425e+03    1.84156e+04    1.24504e+04    1.04350e+03   -2.89919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52734e+03    1.03389e+05    2.80968e+05   -1.72015e+04   -2.15344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20077e+04   -1.73316e+06    3.45388e+05   -1.38777e+06   -2.64216e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09972e+02   -2.12294e+02    3.15535e+01    3.51310e-06

           Step           Time
      230260000   460520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67487e+03    1.85192e+04    1.23768e+04    1.03385e+03   -2.97208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50516e+03    1.03429e+05    2.79883e+05   -1.72015e+04   -2.15331e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20998e+04   -1.73396e+06    3.46892e+05   -1.38707e+06   -2.63984e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11322e+02   -2.12291e+02    9.13986e+00    3.49915e-06

           Step           Time
      230265000   460530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.13811e+03    1.83082e+04    1.22654e+04    1.13669e+03   -2.87015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50745e+03    1.03967e+05    2.82554e+05   -1.71558e+04   -2.15872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18427e+04   -1.73703e+06    3.46231e+05   -1.39080e+06   -2.63382e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10729e+02   -2.11167e+02    3.32606e+01    3.62409e-06

           Step           Time
      230270000   460540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66774e+03    1.87505e+04    1.21849e+04    1.02375e+03   -2.90704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50724e+03    1.03910e+05    2.82195e+05   -1.71198e+04   -2.15399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20116e+04   -1.73177e+06    3.46648e+05   -1.38512e+06   -2.62778e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11103e+02   -2.10284e+02    3.57448e+01    3.64840e-06

           Step           Time
      230275000   460550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64769e+03    1.80547e+04    1.22456e+04    1.09688e+03   -2.93355e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42879e+03    1.04350e+05    2.81235e+05   -1.72148e+04   -2.15837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20392e+04   -1.73742e+06    3.45830e+05   -1.39159e+06   -2.62459e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10369e+02   -2.12620e+02   -1.08201e+01    3.70894e-06

           Step           Time
      230280000   460560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52882e+03    1.86501e+04    1.21024e+04    1.10039e+03   -2.81608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45589e+03    1.03568e+05    2.84211e+05   -1.71880e+04   -2.15636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21134e+04   -1.73264e+06    3.44407e+05   -1.38823e+06   -2.62269e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09092e+02   -2.11958e+02    1.18962e+02    3.54434e-06

           Step           Time
      230285000   460570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30921e+03    1.80312e+04    1.22294e+04    1.06336e+03   -3.01688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65590e+03    1.04167e+05    2.80176e+05   -1.71703e+04   -2.15420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20592e+04   -1.73470e+06    3.45695e+05   -1.38900e+06   -2.62418e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10248e+02   -2.11525e+02   -1.00984e+01    3.50025e-06

           Step           Time
      230290000   460580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53364e+03    1.85952e+04    1.24684e+04    1.07254e+03   -2.86553e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47467e+03    1.03763e+05    2.79993e+05   -1.71732e+04   -2.15201e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17417e+04   -1.73240e+06    3.46656e+05   -1.38575e+06   -2.61749e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11110e+02   -2.11595e+02   -1.61375e+01    3.63183e-06

           Step           Time
      230295000   460590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66177e+03    1.86326e+04    1.23333e+04    1.01274e+03   -2.93588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47829e+03    1.03607e+05    2.78696e+05   -1.71896e+04   -2.15353e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20398e+04   -1.73520e+06    3.47251e+05   -1.38795e+06   -2.61426e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11644e+02   -2.12000e+02   -1.11204e+02    3.72637e-06

           Step           Time
      230300000   460600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90840e+03    1.80124e+04    1.23195e+04    1.04610e+03   -2.74456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43690e+03    1.03685e+05    2.79449e+05   -1.71788e+04   -2.15349e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19205e+04   -1.73464e+06    3.47174e+05   -1.38746e+06   -2.60798e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11575e+02   -2.11734e+02   -4.24651e+01    3.52265e-06

           Step           Time
      230305000   460610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64333e+03    1.84687e+04    1.22056e+04    1.06654e+03   -2.85217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32219e+03    1.04117e+05    2.83187e+05   -1.71810e+04   -2.15936e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21398e+04   -1.73624e+06    3.45165e+05   -1.39108e+06   -2.60228e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09772e+02   -2.11786e+02   -3.77528e+01    3.43010e-06

           Step           Time
      230310000   460620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53268e+03    1.81160e+04    1.22893e+04    1.11140e+03   -2.80215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56475e+03    1.03895e+05    2.80311e+05   -1.71966e+04   -2.15423e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20238e+04   -1.73438e+06    3.46891e+05   -1.38749e+06   -2.60711e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11322e+02   -2.12171e+02    4.21519e+01    3.38835e-06

           Step           Time
      230315000   460630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45390e+03    1.85351e+04    1.22815e+04    1.06571e+03   -2.86145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51364e+03    1.04184e+05    2.78824e+05   -1.71560e+04   -2.15219e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20533e+04   -1.73330e+06    3.45790e+05   -1.38750e+06   -2.60011e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10333e+02   -2.11172e+02   -7.92428e+01    3.50978e-06

           Step           Time
      230320000   460640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44634e+03    1.83099e+04    1.21856e+04    1.09275e+03   -2.81733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59295e+03    1.03624e+05    2.81927e+05   -1.72364e+04   -2.15665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20533e+04   -1.73547e+06    3.45208e+05   -1.39026e+06   -2.59949e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09811e+02   -2.13154e+02    1.31678e+02    3.50174e-06

           Step           Time
      230325000   460650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75962e+03    1.86196e+04    1.23316e+04    1.10754e+03   -2.84569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45239e+03    1.03805e+05    2.80118e+05   -1.71736e+04   -2.15314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19951e+04   -1.73297e+06    3.49119e+05   -1.38385e+06   -2.59534e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13320e+02   -2.11606e+02    1.30508e+01    3.51312e-06

           Step           Time
      230330000   460660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62057e+03    1.83560e+04    1.23347e+04    1.01255e+03   -2.85913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46517e+03    1.03753e+05    2.81303e+05   -1.72265e+04   -2.15841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18434e+04   -1.73781e+06    3.45999e+05   -1.39181e+06   -2.59370e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10521e+02   -2.12909e+02   -8.82223e+00    3.49771e-06

           Step           Time
      230335000   460670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52077e+03    1.80701e+04    1.24286e+04    1.10489e+03   -2.79343e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48817e+03    1.03821e+05    2.78722e+05   -1.71822e+04   -2.15526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18794e+04   -1.73720e+06    3.46255e+05   -1.39094e+06   -2.59215e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10750e+02   -2.11818e+02   -1.64759e+02    3.57830e-06

           Step           Time
      230340000   460680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47250e+03    1.83756e+04    1.24247e+04    9.96198e+02   -2.80735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53934e+03    1.03578e+05    2.82251e+05   -1.72202e+04   -2.15547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19967e+04   -1.73386e+06    3.46853e+05   -1.38701e+06   -2.58794e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11287e+02   -2.12754e+02    1.16627e+02    3.45692e-06

           Step           Time
      230345000   460690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.22892e+03    1.81903e+04    1.22361e+04    1.02245e+03   -2.82732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50883e+03    1.04316e+05    2.81212e+05   -1.71917e+04   -2.15504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20504e+04   -1.73430e+06    3.47016e+05   -1.38728e+06   -2.58714e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11433e+02   -2.12051e+02   -1.02151e+01    3.66238e-06

           Step           Time
      230350000   460700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43835e+03    1.82939e+04    1.23349e+04    1.12533e+03   -2.92984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53319e+03    1.03593e+05    2.80068e+05   -1.71977e+04   -2.15500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17885e+04   -1.73595e+06    3.46067e+05   -1.38988e+06   -2.58284e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10582e+02   -2.12199e+02   -3.29981e-01    3.59573e-06

           Step           Time
      230355000   460710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58769e+03    1.81138e+04    1.22765e+04    1.04008e+03   -2.88866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51661e+03    1.03727e+05    2.78495e+05   -1.72027e+04   -2.15222e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17840e+04   -1.73477e+06    3.45624e+05   -1.38915e+06   -2.57879e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10184e+02   -2.12322e+02   -5.63719e+01    3.47642e-06

           Step           Time
      230360000   460720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37716e+03    1.83121e+04    1.23164e+04    1.13357e+03   -2.84851e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43607e+03    1.03540e+05    2.82961e+05   -1.71872e+04   -2.15849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18625e+04   -1.73659e+06    3.47072e+05   -1.38952e+06   -2.57629e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11483e+02   -2.11940e+02    1.40590e+01    3.49860e-06

           Step           Time
      230365000   460730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49704e+03    1.84335e+04    1.23578e+04    1.09247e+03   -2.87995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52187e+03    1.03993e+05    2.83130e+05   -1.71945e+04   -2.15834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21661e+04   -1.73522e+06    3.46118e+05   -1.38910e+06   -2.56830e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10627e+02   -2.12119e+02    9.85622e+01    3.67903e-06

           Step           Time
      230370000   460740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61923e+03    1.83938e+04    1.21221e+04    1.11181e+03   -2.89447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49121e+03    1.04036e+05    2.81580e+05   -1.71849e+04   -2.15443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20231e+04   -1.73313e+06    3.47377e+05   -1.38575e+06   -2.56814e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11758e+02   -2.11883e+02    4.30936e+01    3.65128e-06

           Step           Time
      230375000   460750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60268e+03    1.82350e+04    1.24162e+04    9.69489e+02   -2.78958e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47461e+03    1.03499e+05    2.80872e+05   -1.71835e+04   -2.15516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20107e+04   -1.73505e+06    3.46003e+05   -1.38905e+06   -2.56441e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10524e+02   -2.11848e+02   -2.53062e+01    3.48554e-06

           Step           Time
      230380000   460760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54525e+03    1.79981e+04    1.24486e+04    1.02277e+03   -2.76130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47659e+03    1.03774e+05    2.80168e+05   -1.71694e+04   -2.15339e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21038e+04   -1.73378e+06    3.45262e+05   -1.38852e+06   -2.56134e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09859e+02   -2.11502e+02   -5.37345e+01    3.36953e-06

Writing checkpoint, step 230380400 at Fri Dec  1 21:53:07 2023


           Step           Time
      230385000   460770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79995e+03    1.82902e+04    1.22075e+04    1.00862e+03   -2.85207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50639e+03    1.03985e+05    2.79329e+05   -1.71712e+04   -2.15453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20083e+04   -1.73542e+06    3.46849e+05   -1.38857e+06   -2.55974e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11283e+02   -2.11545e+02   -7.33262e+01    3.53020e-06

           Step           Time
      230390000   460780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49045e+03    1.82536e+04    1.22753e+04    1.10449e+03   -2.95359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55635e+03    1.04377e+05    2.82171e+05   -1.72026e+04   -2.15906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21674e+04   -1.73682e+06    3.47386e+05   -1.38944e+06   -2.55666e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11766e+02   -2.12318e+02    4.59841e+01    3.62713e-06

           Step           Time
      230395000   460790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59908e+03    1.80134e+04    1.22183e+04    1.12991e+03   -2.93114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54516e+03    1.03915e+05    2.83034e+05   -1.71546e+04   -2.15621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21438e+04   -1.73369e+06    3.45598e+05   -1.38810e+06   -2.55668e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10161e+02   -2.11136e+02    1.20612e+02    3.46073e-06

           Step           Time
      230400000   460800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54345e+03    1.80873e+04    1.22847e+04    1.05826e+03   -2.81990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68944e+03    1.03980e+05    2.81026e+05   -1.71740e+04   -2.15507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21380e+04   -1.73426e+06    3.44565e+05   -1.38970e+06   -2.55131e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09234e+02   -2.11616e+02    9.54236e+01    3.45743e-06

           Step           Time
      230405000   460810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46760e+03    1.85290e+04    1.22551e+04    1.09940e+03   -2.82070e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45977e+03    1.03527e+05    2.80308e+05   -1.71879e+04   -2.15635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19947e+04   -1.73672e+06    3.47180e+05   -1.38954e+06   -2.55461e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11580e+02   -2.11958e+02   -7.06994e+01    3.47512e-06

           Step           Time
      230410000   460820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44574e+03    1.80972e+04    1.23966e+04    1.13611e+03   -2.80429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42386e+03    1.03509e+05    2.80994e+05   -1.71730e+04   -2.15736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20414e+04   -1.73729e+06    3.46228e+05   -1.39106e+06   -2.55208e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10726e+02   -2.11590e+02   -4.40039e+01    3.54603e-06

           Step           Time
      230415000   460830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52751e+03    1.79592e+04    1.23371e+04    1.18007e+03   -2.98740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54703e+03    1.03915e+05    2.82444e+05   -1.71749e+04   -2.15851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22644e+04   -1.73650e+06    3.46550e+05   -1.38995e+06   -2.54728e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11015e+02   -2.11637e+02    1.79803e+01    3.63025e-06

           Step           Time
      230420000   460840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75548e+03    1.82032e+04    1.22358e+04    1.09945e+03   -3.05742e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49958e+03    1.03763e+05    2.81574e+05   -1.71907e+04   -2.15476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18217e+04   -1.73406e+06    3.47409e+05   -1.38665e+06   -2.54599e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11786e+02   -2.12026e+02    8.18391e+01    3.58553e-06

           Step           Time
      230425000   460850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66707e+03    1.83388e+04    1.22145e+04    1.04585e+03   -2.89931e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55745e+03    1.04245e+05    2.82488e+05   -1.72176e+04   -2.15772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19537e+04   -1.73533e+06    3.45335e+05   -1.38999e+06   -2.53722e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09925e+02   -2.12689e+02    1.02355e+02    3.53094e-06

           Step           Time
      230430000   460860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62751e+03    1.82227e+04    1.22273e+04    9.91788e+02   -2.77820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48083e+03    1.03806e+05    2.81472e+05   -1.72105e+04   -2.15586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19923e+04   -1.73502e+06    3.45986e+05   -1.38904e+06   -2.54212e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10509e+02   -2.12513e+02    4.08809e+01    3.63836e-06

           Step           Time
      230435000   460870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31687e+03    1.82793e+04    1.22492e+04    1.11402e+03   -2.86703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61664e+03    1.04115e+05    2.79833e+05   -1.71828e+04   -2.15383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20733e+04   -1.73429e+06    3.47682e+05   -1.38660e+06   -2.53846e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12031e+02   -2.11831e+02    2.58043e+01    3.57979e-06

           Step           Time
      230440000   460880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55494e+03    1.80809e+04    1.23479e+04    1.10771e+03   -2.93673e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50972e+03    1.04407e+05    2.78654e+05   -1.71506e+04   -2.15217e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20963e+04   -1.73350e+06    3.46145e+05   -1.38736e+06   -2.53186e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10652e+02   -2.11039e+02   -1.22699e+02    3.60375e-06

           Step           Time
      230445000   460890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53062e+03    1.82197e+04    1.22419e+04    1.05442e+03   -2.89713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56827e+03    1.04519e+05    2.82808e+05   -1.71975e+04   -2.16121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20720e+04   -1.73829e+06    3.45823e+05   -1.39247e+06   -2.53080e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10363e+02   -2.12194e+02    1.00536e+01    3.41795e-06

           Step           Time
      230450000   460900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56408e+03    1.79167e+04    1.25908e+04    1.08543e+03   -2.89322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50807e+03    1.03905e+05    2.79147e+05   -1.72182e+04   -2.15522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19154e+04   -1.73670e+06    3.45758e+05   -1.39094e+06   -2.52789e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10304e+02   -2.12705e+02   -6.46627e+01    3.72806e-06

           Step           Time
      230455000   460910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60250e+03    1.83365e+04    1.22038e+04    1.17267e+03   -2.89190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48898e+03    1.03908e+05    2.83603e+05   -1.72046e+04   -2.15844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20002e+04   -1.73522e+06    3.48869e+05   -1.38635e+06   -2.53018e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13096e+02   -2.12368e+02    1.47665e+02    3.64621e-06

           Step           Time
      230460000   460920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41873e+03    1.79942e+04    1.23617e+04    1.01024e+03   -2.85758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60173e+03    1.04493e+05    2.79024e+05   -1.71766e+04   -2.15553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20044e+04   -1.73665e+06    3.46280e+05   -1.39037e+06   -2.52478e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10772e+02   -2.11678e+02   -4.51721e+01    3.56307e-06

           Step           Time
      230465000   460930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53608e+03    1.80757e+04    1.22687e+04    1.08364e+03   -2.84067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50736e+03    1.03902e+05    2.79350e+05   -1.71824e+04   -2.15512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17948e+04   -1.73663e+06    3.46934e+05   -1.38969e+06   -2.52411e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11360e+02   -2.11822e+02   -6.80339e+01    3.71789e-06

           Step           Time
      230470000   460940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58722e+03    1.84323e+04    1.22416e+04    1.07002e+03   -2.88839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40360e+03    1.03830e+05    2.79015e+05   -1.71787e+04   -2.15250e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21766e+04   -1.73381e+06    3.46122e+05   -1.38769e+06   -2.51974e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10631e+02   -2.11731e+02   -6.72627e+01    3.63440e-06

           Step           Time
      230475000   460950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48877e+03    1.77232e+04    1.23032e+04    1.10144e+03   -2.87879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53983e+03    1.04356e+05    2.80736e+05   -1.71933e+04   -2.15695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19806e+04   -1.73679e+06    3.46883e+05   -1.38991e+06   -2.51985e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11314e+02   -2.12090e+02    2.90511e+01    3.65884e-06

           Step           Time
      230480000   460960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38270e+03    1.82205e+04    1.24436e+04    1.07871e+03   -2.91524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58421e+03    1.04337e+05    2.81418e+05   -1.71772e+04   -2.15606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21559e+04   -1.73453e+06    3.46746e+05   -1.38778e+06   -2.51640e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11191e+02   -2.11693e+02    7.55879e+01    3.61588e-06

           Step           Time
      230485000   460970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57131e+03    1.81631e+04    1.24431e+04    1.09174e+03   -2.94930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38169e+03    1.03839e+05    2.78948e+05   -1.71665e+04   -2.15486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21744e+04   -1.73636e+06    3.49127e+05   -1.38724e+06   -2.51584e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13328e+02   -2.11431e+02   -9.66561e+01    3.52995e-06

           Step           Time
      230490000   460980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.22938e+03    1.83392e+04    1.23204e+04    1.05930e+03   -2.90194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53132e+03    1.03823e+05    2.80971e+05   -1.71979e+04   -2.15710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19957e+04   -1.73693e+06    3.46390e+05   -1.39054e+06   -2.51252e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10872e+02   -2.12204e+02    9.02315e+00    3.57154e-06

           Step           Time
      230495000   460990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69415e+03    1.81168e+04    1.23406e+04    1.15495e+03   -2.89344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48613e+03    1.03994e+05    2.79995e+05   -1.71789e+04   -2.15413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22537e+04   -1.73417e+06    3.46722e+05   -1.38744e+06   -2.50696e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11170e+02   -2.11736e+02   -4.56175e+01    3.52668e-06

           Step           Time
      230500000   461000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32541e+03    1.82781e+04    1.23563e+04    1.06980e+03   -2.86870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59159e+03    1.04443e+05    2.80661e+05   -1.72156e+04   -2.15480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17782e+04   -1.73438e+06    3.47199e+05   -1.38718e+06   -2.50462e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11598e+02   -2.12641e+02    5.99961e+01    3.58259e-06

           Step           Time
      230505000   461010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36542e+03    1.84003e+04    1.22556e+04    1.10848e+03   -2.97433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54132e+03    1.04317e+05    2.79443e+05   -1.71778e+04   -2.15357e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19947e+04   -1.73429e+06    3.46423e+05   -1.38787e+06   -2.50320e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10901e+02   -2.11709e+02    1.60544e+01    3.56509e-06

           Step           Time
      230510000   461020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54837e+03    1.82889e+04    1.24278e+04    1.11867e+03   -2.85181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41503e+03    1.04178e+05    2.78923e+05   -1.71799e+04   -2.15226e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20378e+04   -1.73336e+06    3.46456e+05   -1.38690e+06   -2.49998e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.11760e+02   -4.52283e+01    3.52384e-06

           Step           Time
      230515000   461030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60974e+03    1.82517e+04    1.24539e+04    1.08552e+03   -2.94503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56534e+03    1.03961e+05    2.77151e+05   -1.71987e+04   -2.15056e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20775e+04   -1.73355e+06    3.46996e+05   -1.38656e+06   -2.49192e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11415e+02   -2.12223e+02   -4.48417e+01    3.55534e-06

           Step           Time
      230520000   461040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49676e+03    1.81217e+04    1.25288e+04    1.05743e+03   -2.92066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57336e+03    1.04347e+05    2.80889e+05   -1.71667e+04   -2.15586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19958e+04   -1.73493e+06    3.47228e+05   -1.38770e+06   -2.48929e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11624e+02   -2.11435e+02    1.52123e+01    3.80349e-06

           Step           Time
      230525000   461050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53288e+03    1.80287e+04    1.21735e+04    1.01066e+03   -2.98947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48908e+03    1.04438e+05    2.80368e+05   -1.71647e+04   -2.15399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20393e+04   -1.73407e+06    3.46494e+05   -1.38757e+06   -2.49045e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10965e+02   -2.11386e+02   -1.39032e+01    3.80285e-06

           Step           Time
      230530000   461060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52876e+03    1.80400e+04    1.22743e+04    1.14055e+03   -2.91156e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54233e+03    1.04058e+05    2.81249e+05   -1.72041e+04   -2.15753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18804e+04   -1.73693e+06    3.47185e+05   -1.38974e+06   -2.48580e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11585e+02   -2.12357e+02    3.34288e+01    3.52330e-06

           Step           Time
      230535000   461070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00427e+03    1.80498e+04    1.24363e+04    1.05519e+03   -2.92718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38140e+03    1.03832e+05    2.79746e+05   -1.71721e+04   -2.15305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20572e+04   -1.73359e+06    3.47633e+05   -1.38596e+06   -2.48004e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11987e+02   -2.11567e+02   -7.82087e+01    3.85845e-06

           Step           Time
      230540000   461080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43387e+03    1.80045e+04    1.23253e+04    1.10817e+03   -2.84981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60915e+03    1.04217e+05    2.79967e+05   -1.71945e+04   -2.15612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20092e+04   -1.73649e+06    3.46361e+05   -1.39013e+06   -2.47732e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10845e+02   -2.12120e+02    1.69656e+01    3.62974e-06

           Step           Time
      230545000   461090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58509e+03    1.81277e+04    1.23486e+04    1.06629e+03   -2.87747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57083e+03    1.04460e+05    2.82014e+05   -1.72024e+04   -2.15911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20473e+04   -1.73697e+06    3.47083e+05   -1.38989e+06   -2.47506e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11494e+02   -2.12313e+02    1.03900e+02    3.50440e-06

           Step           Time
      230550000   461100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45110e+03    1.84184e+04    1.24207e+04    1.08726e+03   -2.91733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49788e+03    1.04457e+05    2.82291e+05   -1.72308e+04   -2.15813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19092e+04   -1.73575e+06    3.47758e+05   -1.38799e+06   -2.47169e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12099e+02   -2.13014e+02    8.30492e+00    3.51420e-06

           Step           Time
      230555000   461110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50954e+03    1.82048e+04    1.24424e+04    1.10591e+03   -3.01553e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53887e+03    1.03861e+05    2.82088e+05   -1.72293e+04   -2.15614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20712e+04   -1.73457e+06    3.46018e+05   -1.38855e+06   -2.46451e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10538e+02   -2.12979e+02    9.35551e+01    3.62176e-06

           Step           Time
      230560000   461120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42653e+03    1.84139e+04    1.22779e+04    1.11542e+03   -2.84260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49166e+03    1.04444e+05    2.76965e+05   -1.71369e+04   -2.15146e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18129e+04   -1.73450e+06    3.49134e+05   -1.38536e+06   -2.46445e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13334e+02   -2.10703e+02   -1.97862e+02    3.81823e-06

           Step           Time
      230565000   461130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38789e+03    1.81291e+04    1.24656e+04    1.12246e+03   -2.94475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55289e+03    1.04307e+05    2.81549e+05   -1.72430e+04   -2.15972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19031e+04   -1.73849e+06    3.47235e+05   -1.39125e+06   -2.45836e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11630e+02   -2.13317e+02    1.08556e+02    3.46718e-06

           Step           Time
      230570000   461140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38845e+03    1.85113e+04    1.25278e+04    1.06233e+03   -2.92605e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48995e+03    1.03879e+05    2.80967e+05   -1.72360e+04   -2.15513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18918e+04   -1.73457e+06    3.47315e+05   -1.38726e+06   -2.46011e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11702e+02   -2.13144e+02    1.23196e+02    3.52861e-06

           Step           Time
      230575000   461150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27578e+03    1.79214e+04    1.24007e+04    1.02784e+03   -2.88923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48912e+03    1.04304e+05    2.79343e+05   -1.71655e+04   -2.15222e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20696e+04   -1.73345e+06    3.45676e+05   -1.38777e+06   -2.45659e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10231e+02   -2.11406e+02   -4.85605e+01    3.83484e-06

           Step           Time
      230580000   461160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69947e+03    1.81726e+04    1.23092e+04    1.05740e+03   -2.96456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34253e+03    1.04181e+05    2.81800e+05   -1.71772e+04   -2.15805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18150e+04   -1.73681e+06    3.46050e+05   -1.39076e+06   -2.45282e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10566e+02   -2.11695e+02    9.20106e+00    3.80294e-06

           Step           Time
      230585000   461170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60615e+03    1.82928e+04    1.25023e+04    1.06562e+03   -3.04259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38568e+03    1.04110e+05    2.76726e+05   -1.72006e+04   -2.15100e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18444e+04   -1.73471e+06    3.46442e+05   -1.38827e+06   -2.45266e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10919e+02   -2.12270e+02   -1.44597e+02    3.50958e-06

           Step           Time
      230590000   461180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44989e+03    1.82035e+04    1.24510e+04    1.07521e+03   -2.90835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57499e+03    1.04058e+05    2.83469e+05   -1.71822e+04   -2.16010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19307e+04   -1.73698e+06    3.44715e+05   -1.39226e+06   -2.44655e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09368e+02   -2.11817e+02    7.78823e+01    3.87365e-06

           Step           Time
      230595000   461190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69731e+03    1.82108e+04    1.24115e+04    1.15741e+03   -2.91693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47360e+03    1.04046e+05    2.79462e+05   -1.71686e+04   -2.15025e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21063e+04   -1.73077e+06    3.45786e+05   -1.38499e+06   -2.44345e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10329e+02   -2.11481e+02   -5.21912e-01    3.65567e-06

           Step           Time
      230600000   461200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49215e+03    1.80473e+04    1.25445e+04    1.09960e+03   -2.96969e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33730e+03    1.04432e+05    2.82297e+05   -1.71412e+04   -2.15804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21456e+04   -1.73576e+06    3.46176e+05   -1.38958e+06   -2.43992e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10680e+02   -2.10809e+02   -4.74006e+01    3.54754e-06

           Step           Time
      230605000   461210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45912e+03    1.82491e+04    1.23706e+04    1.06884e+03   -2.96900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52390e+03    1.04240e+05    2.80040e+05   -1.72112e+04   -2.15628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19668e+04   -1.73654e+06    3.47007e+05   -1.38954e+06   -2.44082e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11425e+02   -2.12533e+02   -1.49538e+01    3.58514e-06

           Step           Time
      230610000   461220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55624e+03    1.81128e+04    1.22572e+04    1.12048e+03   -2.99104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56550e+03    1.03930e+05    2.78398e+05   -1.71865e+04   -2.15055e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20084e+04   -1.73278e+06    3.46095e+05   -1.38668e+06   -2.43731e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10607e+02   -2.11923e+02    9.39102e-02    3.69099e-06

           Step           Time
      230615000   461230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78523e+03    1.80823e+04    1.24036e+04    1.06020e+03   -2.96419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34349e+03    1.03741e+05    2.81685e+05   -1.71696e+04   -2.15718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18752e+04   -1.73634e+06    3.47143e+05   -1.38919e+06   -2.43434e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11548e+02   -2.11507e+02   -1.65010e+00    3.67715e-06

           Step           Time
      230620000   461240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47701e+03    1.82551e+04    1.24008e+04    1.10550e+03   -2.79715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61085e+03    1.04105e+05    2.81552e+05   -1.71761e+04   -2.15659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19682e+04   -1.73509e+06    3.46531e+05   -1.38856e+06   -2.43006e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10998e+02   -2.11667e+02    1.41974e+01    3.73404e-06

           Step           Time
      230625000   461250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29942e+03    1.80941e+04    1.22387e+04    1.14816e+03   -2.88189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48933e+03    1.04435e+05    2.80299e+05   -1.72198e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20621e+04   -1.73577e+06    3.45681e+05   -1.39009e+06   -2.42690e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10235e+02   -2.12744e+02   -4.86866e+00    3.55939e-06

           Step           Time
      230630000   461260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56525e+03    1.82433e+04    1.23992e+04    1.06267e+03   -2.85390e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44861e+03    1.03922e+05    2.79195e+05   -1.71999e+04   -2.15373e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22182e+04   -1.73473e+06    3.44242e+05   -1.39049e+06   -2.42218e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08944e+02   -2.12254e+02   -8.51945e+01    3.64311e-06

           Step           Time
      230635000   461270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50006e+03    1.83266e+04    1.24644e+04    1.05537e+03   -2.81226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51501e+03    1.04003e+05    2.80990e+05   -1.71883e+04   -2.15541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21571e+04   -1.73440e+06    3.46081e+05   -1.38832e+06   -2.42195e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10594e+02   -2.11967e+02   -4.22874e+01    3.69151e-06

           Step           Time
      230640000   461280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62690e+03    1.82733e+04    1.23392e+04    1.09330e+03   -2.82998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47536e+03    1.03813e+05    2.82241e+05   -1.72346e+04   -2.15720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19212e+04   -1.73549e+06    3.45990e+05   -1.38950e+06   -2.41488e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10512e+02   -2.13108e+02    6.51979e+01    3.76445e-06

           Step           Time
      230645000   461290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44708e+03    1.82614e+04    1.24811e+04    1.08392e+03   -2.91947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52265e+03    1.03984e+05    2.81685e+05   -1.71560e+04   -2.15733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21349e+04   -1.73581e+06    3.46933e+05   -1.38888e+06   -2.41255e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11359e+02   -2.11172e+02    5.84775e+01    3.55221e-06

           Step           Time
      230650000   461300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51511e+03    1.80347e+04    1.22542e+04    1.09047e+03   -2.83289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39615e+03    1.03842e+05    2.81345e+05   -1.71740e+04   -2.15718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20403e+04   -1.73666e+06    3.45796e+05   -1.39087e+06   -2.41686e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10339e+02   -2.11616e+02   -6.03228e+01    3.58537e-06

           Step           Time
      230655000   461310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59141e+03    1.82039e+04    1.23795e+04    1.12666e+03   -2.77281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70088e+03    1.04242e+05    2.81747e+05   -1.72160e+04   -2.15583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19968e+04   -1.73383e+06    3.47462e+05   -1.38637e+06   -2.40802e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11833e+02   -2.12651e+02    1.14561e+02    3.65664e-06

           Step           Time
      230660000   461320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49672e+03    1.82684e+04    1.23482e+04    1.01778e+03   -2.94859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48400e+03    1.04166e+05    2.81935e+05   -1.72428e+04   -2.15699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19910e+04   -1.73548e+06    3.47169e+05   -1.38831e+06   -2.40824e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11570e+02   -2.13311e+02    3.20911e+01    3.68515e-06

           Step           Time
      230665000   461330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52320e+03    1.83182e+04    1.24167e+04    1.05948e+03   -2.87651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35434e+03    1.04305e+05    2.80772e+05   -1.71925e+04   -2.15635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19170e+04   -1.73576e+06    3.48297e+05   -1.38746e+06   -2.40851e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12583e+02   -2.12071e+02   -5.21908e+01    3.60184e-06

           Step           Time
      230670000   461340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67588e+03    1.82594e+04    1.23713e+04    1.13405e+03   -2.94379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49802e+03    1.04317e+05    2.81596e+05   -1.71568e+04   -2.15592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20291e+04   -1.73414e+06    3.47568e+05   -1.38657e+06   -2.40250e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11929e+02   -2.11192e+02   -4.90171e+01    3.63458e-06

           Step           Time
      230675000   461350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50320e+03    1.81528e+04    1.22765e+04    1.04363e+03   -2.87531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43040e+03    1.04639e+05    2.82133e+05   -1.71612e+04   -2.15772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21285e+04   -1.73545e+06    3.47947e+05   -1.38751e+06   -2.40176e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12269e+02   -2.11300e+02   -6.57136e+01    3.57905e-06

           Step           Time
      230680000   461360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35862e+03    1.83394e+04    1.24693e+04    1.09345e+03   -2.97792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53342e+03    1.03819e+05    2.81864e+05   -1.71620e+04   -2.15677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21859e+04   -1.73524e+06    3.45688e+05   -1.38956e+06   -2.39528e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10241e+02   -2.11320e+02    3.44504e+00    3.63831e-06

           Step           Time
      230685000   461370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55700e+03    1.82391e+04    1.22963e+04    1.08736e+03   -2.82898e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42709e+03    1.04152e+05    2.81300e+05   -1.71902e+04   -2.15652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19290e+04   -1.73555e+06    3.47042e+05   -1.38851e+06   -2.39535e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11457e+02   -2.12015e+02    1.38889e+01    3.93140e-06

           Step           Time
      230690000   461380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48924e+03    1.78485e+04    1.24720e+04    1.04855e+03   -2.81890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59118e+03    1.03940e+05    2.82636e+05   -1.72475e+04   -2.15894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18105e+04   -1.73717e+06    3.45834e+05   -1.39133e+06   -2.39282e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10372e+02   -2.13427e+02    1.25794e+02    3.59267e-06

           Step           Time
      230695000   461390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50535e+03    1.82851e+04    1.21868e+04    9.99888e+02   -2.91568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47472e+03    1.04610e+05    2.78649e+05   -1.72025e+04   -2.15269e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19834e+04   -1.73411e+06    3.46352e+05   -1.38776e+06   -2.38830e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10837e+02   -2.12317e+02   -9.10495e+01    3.58996e-06

           Step           Time
      230700000   461400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62794e+03    1.82850e+04    1.22573e+04    1.15573e+03   -2.83798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58993e+03    1.04090e+05    2.79887e+05   -1.71674e+04   -2.15222e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21118e+04   -1.73222e+06    3.46121e+05   -1.38610e+06   -2.38426e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10630e+02   -2.11452e+02   -5.00398e+01    3.71975e-06

           Step           Time
      230705000   461410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44369e+03    1.78539e+04    1.25909e+04    1.08980e+03   -2.83009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54239e+03    1.04099e+05    2.80785e+05   -1.72241e+04   -2.15618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19795e+04   -1.73585e+06    3.44398e+05   -1.39145e+06   -2.38300e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09084e+02   -2.12850e+02    1.51606e+01    3.69311e-06

           Step           Time
      230710000   461420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50472e+03    1.83730e+04    1.24926e+04    1.05061e+03   -2.83665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59634e+03    1.03806e+05    2.78382e+05   -1.71709e+04   -2.15208e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20793e+04   -1.73380e+06    3.48179e+05   -1.38562e+06   -2.37696e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12477e+02   -2.11539e+02   -1.07908e+02    3.73532e-06

           Step           Time
      230715000   461430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64638e+03    1.81095e+04    1.24023e+04    1.09274e+03   -2.88717e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51940e+03    1.03834e+05    2.79218e+05   -1.72084e+04   -2.15317e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17592e+04   -1.73469e+06    3.46520e+05   -1.38817e+06   -2.37694e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10988e+02   -2.12463e+02   -3.17856e+01    3.56462e-06

           Step           Time
      230720000   461440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64770e+03    1.83765e+04    1.25876e+04    1.12354e+03   -2.79090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53875e+03    1.03601e+05    2.81572e+05   -1.71722e+04   -2.15435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21894e+04   -1.73267e+06    3.49314e+05   -1.38336e+06   -2.37780e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13496e+02   -2.11570e+02    7.21795e+01    3.47015e-06

           Step           Time
      230725000   461450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46309e+03    1.80253e+04    1.23059e+04    1.04924e+03   -2.86371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55264e+03    1.04569e+05    2.79744e+05   -1.71962e+04   -2.15438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20815e+04   -1.73464e+06    3.46316e+05   -1.38833e+06   -2.37528e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10805e+02   -2.12161e+02   -1.26759e+01    3.52965e-06

           Step           Time
      230730000   461460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50350e+03    1.81636e+04    1.23745e+04    1.04957e+03   -2.92443e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55623e+03    1.04040e+05    2.80758e+05   -1.71565e+04   -2.15580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19465e+04   -1.73549e+06    3.46744e+05   -1.38875e+06   -2.36656e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11189e+02   -2.11184e+02   -7.48874e+01    3.57747e-06

           Step           Time
      230735000   461470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42304e+03    1.80614e+04    1.22949e+04    1.13355e+03   -2.93298e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40383e+03    1.03751e+05    2.82060e+05   -1.72111e+04   -2.15740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19343e+04   -1.73648e+06    3.44541e+05   -1.39194e+06   -2.36519e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09212e+02   -2.12529e+02    4.03698e+00    3.55081e-06

           Step           Time
      230740000   461480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52412e+03    1.82797e+04    1.24611e+04    1.12670e+03   -2.85073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43859e+03    1.03898e+05    2.80343e+05   -1.71939e+04   -2.15486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20216e+04   -1.73481e+06    3.48554e+05   -1.38626e+06   -2.36312e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12813e+02   -2.12104e+02   -2.48588e+01    3.55310e-06

           Step           Time
      230745000   461490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43862e+03    1.79725e+04    1.24429e+04    1.10225e+03   -2.88531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54763e+03    1.03636e+05    2.81502e+05   -1.71522e+04   -2.15515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20474e+04   -1.73450e+06    3.44771e+05   -1.38973e+06   -2.35738e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09419e+02   -2.11079e+02    6.50651e+01    3.51315e-06

           Step           Time
      230750000   461500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46231e+03    1.80164e+04    1.25174e+04    1.17831e+03   -3.01182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54783e+03    1.04006e+05    2.79922e+05   -1.71749e+04   -2.15417e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18148e+04   -1.73489e+06    3.47821e+05   -1.38707e+06   -2.35562e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12156e+02   -2.11637e+02   -2.98860e+01    3.55993e-06

           Step           Time
      230755000   461510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71846e+03    1.82008e+04    1.24903e+04    1.15111e+03   -2.93335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35884e+03    1.03570e+05    2.81721e+05   -1.72001e+04   -2.15727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20937e+04   -1.73610e+06    3.48949e+05   -1.38715e+06   -2.35675e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13168e+02   -2.12258e+02   -5.66369e+01    3.64594e-06

           Step           Time
      230760000   461520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35346e+03    1.82097e+04    1.22867e+04    1.16043e+03   -2.98508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60488e+03    1.03783e+05    2.79803e+05   -1.72125e+04   -2.15473e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19747e+04   -1.73576e+06    3.47227e+05   -1.38853e+06   -2.35378e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11623e+02   -2.12564e+02    4.40716e+00    3.81997e-06

           Step           Time
      230765000   461530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20596e+03    1.77717e+04    1.23299e+04    1.10957e+03   -2.84741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54628e+03    1.04210e+05    2.81892e+05   -1.71969e+04   -2.15922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20378e+04   -1.73816e+06    3.45784e+05   -1.39238e+06   -2.34959e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10327e+02   -2.12178e+02   -1.39639e+01    3.70614e-06

           Step           Time
      230770000   461540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49493e+03    1.85602e+04    1.23490e+04    1.05404e+03   -3.01566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54915e+03    1.03986e+05    2.81153e+05   -1.71509e+04   -2.15378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19585e+04   -1.73285e+06    3.45970e+05   -1.38688e+06   -2.34248e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10495e+02   -2.11047e+02    3.64741e+01    3.63319e-06

           Step           Time
      230775000   461550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54601e+03    1.84573e+04    1.24627e+04    1.08892e+03   -2.94921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49542e+03    1.03792e+05    2.79653e+05   -1.71736e+04   -2.15161e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19374e+04   -1.73230e+06    3.45810e+05   -1.38649e+06   -2.33541e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10351e+02   -2.11604e+02   -7.20073e+01    3.47678e-06

           Step           Time
      230780000   461560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63869e+03    1.78875e+04    1.22635e+04    1.13806e+03   -2.82221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50663e+03    1.04103e+05    2.80709e+05   -1.72109e+04   -2.15621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19580e+04   -1.73604e+06    3.47165e+05   -1.38887e+06   -2.33761e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11567e+02   -2.12525e+02    2.66573e+01    3.73211e-06

           Step           Time
      230785000   461570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56066e+03    1.87091e+04    1.24135e+04    1.08433e+03   -2.88104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54994e+03    1.03674e+05    2.79467e+05   -1.71780e+04   -2.15393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21134e+04   -1.73442e+06    3.47415e+05   -1.38701e+06   -2.33122e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11792e+02   -2.11714e+02   -3.09130e+01    3.52217e-06

           Step           Time
      230790000   461580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27549e+03    1.81187e+04    1.24650e+04    1.05659e+03   -2.87655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53032e+03    1.04322e+05    2.82093e+05   -1.72180e+04   -2.15780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17665e+04   -1.73627e+06    3.46273e+05   -1.39000e+06   -2.33212e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10767e+02   -2.12700e+02    7.69132e+01    3.70589e-06

           Step           Time
      230795000   461590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55893e+03    1.81171e+04    1.24293e+04    1.15472e+03   -2.91499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41166e+03    1.04108e+05    2.79294e+05   -1.72292e+04   -2.15322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20854e+04   -1.73420e+06    3.47563e+05   -1.38664e+06   -2.32842e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11925e+02   -2.12975e+02   -6.33916e+00    3.78435e-06

           Step           Time
      230800000   461600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41925e+03    1.80755e+04    1.24307e+04    1.12668e+03   -2.86022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35012e+03    1.04130e+05    2.80784e+05   -1.71995e+04   -2.15667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18136e+04   -1.73660e+06    3.46732e+05   -1.38987e+06   -2.32739e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11178e+02   -2.12243e+02   -2.07600e+01    3.61250e-06

           Step           Time
      230805000   461610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33423e+03    1.83923e+04    1.25138e+04    1.05402e+03   -2.87760e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57898e+03    1.04576e+05    2.79586e+05   -1.71579e+04   -2.15303e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20143e+04   -1.73301e+06    3.47703e+05   -1.38531e+06   -2.32359e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12050e+02   -2.11220e+02    1.75737e+01    3.71133e-06

           Step           Time
      230810000   461620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35461e+03    1.82571e+04    1.21740e+04    1.06563e+03   -2.95052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42347e+03    1.04226e+05    2.82130e+05   -1.72369e+04   -2.15990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18436e+04   -1.73861e+06    3.45906e+05   -1.39271e+06   -2.31766e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10437e+02   -2.13165e+02   -1.74443e+01    3.55588e-06

           Step           Time
      230815000   461630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50730e+03    1.83292e+04    1.23500e+04    1.03979e+03   -2.80104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54663e+03    1.04256e+05    2.80932e+05   -1.71592e+04   -2.15588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20215e+04   -1.73486e+06    3.47661e+05   -1.38720e+06   -2.31655e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12012e+02   -2.11251e+02    1.06603e+01    3.58857e-06

           Step           Time
      230820000   461640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.19898e+03    1.79042e+04    1.22068e+04    1.19883e+03   -2.80328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60266e+03    1.04178e+05    2.80934e+05   -1.71952e+04   -2.15642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19082e+04   -1.73628e+06    3.47224e+05   -1.38906e+06   -2.31309e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11620e+02   -2.12138e+02    1.67802e+01    3.66515e-06

           Step           Time
      230825000   461650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29132e+03    1.85757e+04    1.23129e+04    1.14523e+03   -2.99203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54198e+03    1.04286e+05    2.79808e+05   -1.71719e+04   -2.15601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21723e+04   -1.73604e+06    3.48233e+05   -1.38780e+06   -2.30620e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12526e+02   -2.11562e+02   -2.86920e+01    3.61572e-06

           Step           Time
      230830000   461660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51869e+03    1.79843e+04    1.24275e+04    1.11828e+03   -2.94620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47950e+03    1.04329e+05    2.78581e+05   -1.71819e+04   -2.15306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20738e+04   -1.73468e+06    3.48444e+05   -1.38623e+06   -2.30608e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12715e+02   -2.11809e+02   -2.83180e+01    3.69370e-06

           Step           Time
      230835000   461670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56648e+03    1.84161e+04    1.25147e+04    1.10561e+03   -2.88855e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45606e+03    1.03875e+05    2.81618e+05   -1.72519e+04   -2.15635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19028e+04   -1.73503e+06    3.47000e+05   -1.38803e+06   -2.30082e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11419e+02   -2.13538e+02    6.44212e+01    3.65415e-06

           Step           Time
      230840000   461680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39845e+03    1.82517e+04    1.23180e+04    1.13262e+03   -2.83191e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47843e+03    1.03777e+05    2.80976e+05   -1.71581e+04   -2.15521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21385e+04   -1.73473e+06    3.47384e+05   -1.38735e+06   -2.29691e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11764e+02   -2.11225e+02   -1.28937e+01    3.74154e-06

           Step           Time
      230845000   461690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60727e+03    1.85485e+04    1.23392e+04    1.09553e+03   -2.87989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39899e+03    1.03769e+05    2.80222e+05   -1.71876e+04   -2.15393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19998e+04   -1.73402e+06    3.46817e+05   -1.38720e+06   -2.29326e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11255e+02   -2.11949e+02   -1.40198e+01    3.73382e-06

           Step           Time
      230850000   461700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45158e+03    1.80071e+04    1.22492e+04    1.02125e+03   -2.82199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55078e+03    1.03983e+05    2.81038e+05   -1.71976e+04   -2.15588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19289e+04   -1.73567e+06    3.46140e+05   -1.38953e+06   -2.29066e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10647e+02   -2.12195e+02    5.29853e+00    3.61323e-06

           Step           Time
      230855000   461710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44375e+03    1.87724e+04    1.23911e+04    1.07550e+03   -2.89753e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50420e+03    1.04083e+05    2.80942e+05   -1.72018e+04   -2.15449e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19671e+04   -1.73341e+06    3.48543e+05   -1.38487e+06   -2.28889e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12804e+02   -2.12299e+02    1.03804e+02    3.57229e-06

           Step           Time
      230860000   461720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45402e+03    1.82824e+04    1.23531e+04    1.10169e+03   -2.88500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47848e+03    1.04157e+05    2.80399e+05   -1.71335e+04   -2.15334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21405e+04   -1.73299e+06    3.48328e+05   -1.38466e+06   -2.28732e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12611e+02   -2.10619e+02   -3.05948e+01    3.66567e-06

           Step           Time
      230865000   461730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47703e+03    1.81365e+04    1.23238e+04    1.10461e+03   -2.88413e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54240e+03    1.03956e+05    2.78992e+05   -1.72018e+04   -2.15277e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18735e+04   -1.73445e+06    3.45638e+05   -1.38881e+06   -2.28211e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10196e+02   -2.12301e+02   -2.77114e+01    3.62429e-06

           Step           Time
      230870000   461740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56475e+03    1.82759e+04    1.22282e+04    1.15539e+03   -2.76797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58127e+03    1.04246e+05    2.81103e+05   -1.71825e+04   -2.15690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21203e+04   -1.73557e+06    3.47804e+05   -1.38777e+06   -2.27899e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12141e+02   -2.11824e+02    8.78209e+00    3.70317e-06

           Step           Time
      230875000   461750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61548e+03    1.82340e+04    1.22976e+04    1.05527e+03   -2.78790e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43044e+03    1.03903e+05    2.79919e+05   -1.72121e+04   -2.15536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19277e+04   -1.73598e+06    3.47845e+05   -1.38813e+06   -2.28198e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12178e+02   -2.12553e+02   -5.15390e+01    3.71454e-06

           Step           Time
      230880000   461760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67512e+03    1.81581e+04    1.23550e+04    1.02440e+03   -2.79263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53759e+03    1.04386e+05    2.79838e+05   -1.71893e+04   -2.15565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19986e+04   -1.73566e+06    3.45847e+05   -1.38981e+06   -2.27370e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10384e+02   -2.11991e+02   -4.53541e+01    3.54812e-06

           Step           Time
      230885000   461770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35791e+03    1.80645e+04    1.22557e+04    1.07051e+03   -2.85014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57765e+03    1.04228e+05    2.80171e+05   -1.72095e+04   -2.15521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19509e+04   -1.73559e+06    3.46706e+05   -1.38889e+06   -2.27871e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11155e+02   -2.12489e+02    4.37951e+01    3.73373e-06

           Step           Time
      230890000   461780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42118e+03    1.84413e+04    1.23540e+04    1.09307e+03   -2.92019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54752e+03    1.03594e+05    2.81068e+05   -1.72162e+04   -2.15497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20669e+04   -1.73452e+06    3.47900e+05   -1.38662e+06   -2.27061e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12226e+02   -2.12656e+02    4.60131e+01    3.73286e-06

           Step           Time
      230895000   461790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71235e+03    1.79048e+04    1.22392e+04    1.08601e+03   -2.82146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38490e+03    1.03595e+05    2.82269e+05   -1.72101e+04   -2.15786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20251e+04   -1.73668e+06    3.46510e+05   -1.39017e+06   -2.27096e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10979e+02   -2.12505e+02    5.79509e+01    3.59373e-06

           Step           Time
      230900000   461800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57417e+03    1.82288e+04    1.23371e+04    1.02856e+03   -2.91610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39143e+03    1.03958e+05    2.82221e+05   -1.71989e+04   -2.15891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20140e+04   -1.73727e+06    3.43993e+05   -1.39328e+06   -2.26034e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08720e+02   -2.12227e+02   -5.53694e+00    3.53357e-06

           Step           Time
      230905000   461810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37456e+03    1.82340e+04    1.24213e+04    1.00469e+03   -2.80542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45855e+03    1.04038e+05    2.78982e+05   -1.71939e+04   -2.15321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18190e+04   -1.73488e+06    3.46334e+05   -1.38855e+06   -2.26576e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10821e+02   -2.12105e+02   -5.40008e+01    3.55884e-06

           Step           Time
      230910000   461820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67841e+03    1.81335e+04    1.22527e+04    1.10513e+03   -2.96523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63102e+03    1.04279e+05    2.80484e+05   -1.72050e+04   -2.15503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20046e+04   -1.73463e+06    3.47529e+05   -1.38711e+06   -2.25670e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11894e+02   -2.12377e+02    4.79981e+01    3.64445e-06

           Step           Time
      230915000   461830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43849e+03    1.79540e+04    1.25656e+04    1.13018e+03   -2.99659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41948e+03    1.03826e+05    2.81447e+05   -1.71924e+04   -2.15749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21383e+04   -1.73676e+06    3.46741e+05   -1.39002e+06   -2.25610e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11186e+02   -2.12068e+02   -1.43746e+00    3.67386e-06

           Step           Time
      230920000   461840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46996e+03    1.81730e+04    1.23322e+04    1.08626e+03   -2.81153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49197e+03    1.04055e+05    2.82972e+05   -1.72486e+04   -2.15991e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19501e+04   -1.73744e+06    3.45072e+05   -1.39237e+06   -2.24812e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09689e+02   -2.13455e+02    1.59670e+02    3.56464e-06

           Step           Time
      230925000   461850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79581e+03    1.84608e+04    1.22755e+04    1.08332e+03   -2.89138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46415e+03    1.04169e+05    2.79474e+05   -1.71697e+04   -2.15647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19757e+04   -1.73683e+06    3.45404e+05   -1.39143e+06   -2.24138e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09986e+02   -2.11510e+02   -1.61298e+02    3.51081e-06

           Step           Time
      230930000   461860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50543e+03    1.78419e+04    1.24979e+04    1.08548e+03   -2.92813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46489e+03    1.04301e+05    2.81687e+05   -1.71991e+04   -2.15764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20043e+04   -1.73638e+06    3.46150e+05   -1.39023e+06   -2.24321e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10657e+02   -2.12234e+02   -5.63711e+00    3.52093e-06

           Step           Time
      230935000   461870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46024e+03    1.82279e+04    1.23780e+04    1.02249e+03   -2.92195e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56218e+03    1.04391e+05    2.81686e+05   -1.72303e+04   -2.15693e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19669e+04   -1.73539e+06    3.47199e+05   -1.38819e+06   -2.23774e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11597e+02   -2.13002e+02    1.22124e+02    3.70466e-06

           Step           Time
      230940000   461880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45604e+03    1.82810e+04    1.21802e+04    1.10464e+03   -2.93915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59236e+03    1.03862e+05    2.80037e+05   -1.72039e+04   -2.15656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19156e+04   -1.73728e+06    3.46197e+05   -1.39108e+06   -2.23646e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10698e+02   -2.12350e+02   -6.72736e+01    3.70975e-06

           Step           Time
      230945000   461890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62498e+03    1.79784e+04    1.23083e+04    1.06461e+03   -2.87754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47158e+03    1.04576e+05    2.79880e+05   -1.71578e+04   -2.15642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17488e+04   -1.73681e+06    3.46407e+05   -1.39040e+06   -2.23150e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10887e+02   -2.11216e+02   -9.00660e+01    3.58689e-06

           Step           Time
      230950000   461900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69296e+03    1.77859e+04    1.25205e+04    1.10489e+03   -2.98304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54512e+03    1.04358e+05    2.80711e+05   -1.71814e+04   -2.15730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19500e+04   -1.73680e+06    3.46751e+05   -1.39005e+06   -2.23124e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11195e+02   -2.11798e+02   -4.57568e+01    3.51442e-06

           Step           Time
      230955000   461910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31495e+03    1.78267e+04    1.24655e+04    1.06525e+03   -2.90237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58968e+03    1.04946e+05    2.81692e+05   -1.71845e+04   -2.15978e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19020e+04   -1.73807e+06    3.46424e+05   -1.39164e+06   -2.22454e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10902e+02   -2.11873e+02    7.07847e+00    3.72483e-06

           Step           Time
      230960000   461920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63682e+03    1.80928e+04    1.23728e+04    1.05708e+03   -2.85035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55665e+03    1.04547e+05    2.81418e+05   -1.71627e+04   -2.15722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19749e+04   -1.73558e+06    3.46347e+05   -1.38923e+06   -2.21822e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10833e+02   -2.11337e+02    1.09458e+00    3.67911e-06

           Step           Time
      230965000   461930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45155e+03    1.80042e+04    1.23835e+04    1.12077e+03   -2.90509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45563e+03    1.04865e+05    2.82460e+05   -1.72010e+04   -2.15933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17991e+04   -1.73690e+06    3.45680e+05   -1.39122e+06   -2.21690e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10235e+02   -2.12280e+02    6.14217e+01    3.56263e-06

           Step           Time
      230970000   461940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59589e+03    1.81442e+04    1.25637e+04    1.15334e+03   -2.96212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50593e+03    1.04315e+05    2.81543e+05   -1.72165e+04   -2.15976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21185e+04   -1.73799e+06    3.47076e+05   -1.39092e+06   -2.21080e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11487e+02   -2.12662e+02   -2.83736e+00    3.45344e-06

           Step           Time
      230975000   461950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48976e+03    1.81337e+04    1.24139e+04    1.08257e+03   -2.82320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41699e+03    1.04476e+05    2.82093e+05   -1.72015e+04   -2.15791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20105e+04   -1.73582e+06    3.45653e+05   -1.39017e+06   -2.21116e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10210e+02   -2.12292e+02    2.37022e+01    3.61449e-06

           Step           Time
      230980000   461960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28509e+03    1.79294e+04    1.23478e+04    1.08235e+03   -2.80767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39944e+03    1.04325e+05    2.80157e+05   -1.71787e+04   -2.15476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20393e+04   -1.73518e+06    3.46870e+05   -1.38831e+06   -2.21108e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11303e+02   -2.11730e+02   -5.39257e+01    3.64190e-06

           Step           Time
      230985000   461970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55442e+03    1.81484e+04    1.24549e+04    1.11400e+03   -2.98007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54678e+03    1.03931e+05    2.80477e+05   -1.72179e+04   -2.15435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19427e+04   -1.73438e+06    3.47671e+05   -1.38671e+06   -2.20332e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12022e+02   -2.12697e+02    6.05438e+01    3.70038e-06

           Step           Time
      230990000   461980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56671e+03    1.80760e+04    1.22993e+04    1.11304e+03   -2.91007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52918e+03    1.03966e+05    2.80782e+05   -1.71894e+04   -2.15362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21049e+04   -1.73329e+06    3.46632e+05   -1.38665e+06   -2.19988e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11089e+02   -2.11994e+02    9.12851e+00    3.65122e-06

           Step           Time
      230995000   461990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37443e+03    1.82149e+04    1.23354e+04    1.10989e+03   -2.87918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58972e+03    1.04535e+05    2.79663e+05   -1.72057e+04   -2.15340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19505e+04   -1.73371e+06    3.45751e+05   -1.38796e+06   -2.19578e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10298e+02   -2.12397e+02    2.38692e+01    3.60343e-06

           Step           Time
      231000000   462000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66644e+03    1.83526e+04    1.22727e+04    1.03501e+03   -2.83565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57855e+03    1.04161e+05    2.83316e+05   -1.72094e+04   -2.15669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18479e+04   -1.73351e+06    3.47485e+05   -1.38602e+06   -2.18954e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11854e+02   -2.12488e+02    1.61963e+02    3.42611e-06

           Step           Time
      231005000   462010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72859e+03    1.84539e+04    1.24073e+04    1.11543e+03   -2.90385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54519e+03    1.03900e+05    2.81210e+05   -1.71925e+04   -2.15694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20784e+04   -1.73559e+06    3.47108e+05   -1.38849e+06   -2.18798e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11516e+02   -2.12071e+02    4.77710e+01    3.57994e-06

           Step           Time
      231010000   462020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37477e+03    1.81629e+04    1.23392e+04    1.07213e+03   -2.84656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50795e+03    1.04885e+05    2.81978e+05   -1.71637e+04   -2.15819e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20061e+04   -1.73587e+06    3.46616e+05   -1.38926e+06   -2.19002e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11075e+02   -2.11362e+02    8.19200e+01    3.60065e-06

           Step           Time
      231015000   462030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65449e+03    1.79365e+04    1.24451e+04    1.05296e+03   -2.93132e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46478e+03    1.04022e+05    2.80972e+05   -1.71963e+04   -2.15762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20394e+04   -1.73716e+06    3.45787e+05   -1.39137e+06   -2.18280e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10331e+02   -2.12165e+02   -5.33270e+01    3.65045e-06

           Step           Time
      231020000   462040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48245e+03    1.79918e+04    1.24842e+04    1.09048e+03   -2.89936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53765e+03    1.04175e+05    2.78054e+05   -1.72362e+04   -2.15341e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18807e+04   -1.73584e+06    3.47604e+05   -1.38824e+06   -2.18651e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11961e+02   -2.13148e+02   -5.40863e+01    3.61684e-06

           Step           Time
      231025000   462050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34496e+03    1.79621e+04    1.24685e+04    1.07533e+03   -2.85525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52373e+03    1.04527e+05    2.80118e+05   -1.72106e+04   -2.15635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20548e+04   -1.73634e+06    3.47175e+05   -1.38917e+06   -2.18579e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11576e+02   -2.12518e+02    1.46003e+01    3.68275e-06

           Step           Time
      231030000   462060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40126e+03    1.83026e+04    1.25273e+04    1.16494e+03   -2.93736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57096e+03    1.04592e+05    2.79888e+05   -1.71745e+04   -2.15416e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20965e+04   -1.73373e+06    3.48446e+05   -1.38528e+06   -2.18136e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12717e+02   -2.11628e+02   -1.22541e+01    3.69036e-06

           Step           Time
      231035000   462070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69926e+03    1.78573e+04    1.24223e+04    1.17134e+03   -2.83706e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52304e+03    1.04215e+05    2.81632e+05   -1.71652e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19698e+04   -1.73371e+06    3.46882e+05   -1.38683e+06   -2.17489e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11313e+02   -2.11398e+02    4.28105e+01    3.63538e-06

           Step           Time
      231040000   462080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56547e+03    1.81739e+04    1.22613e+04    1.06315e+03   -2.87637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39151e+03    1.04375e+05    2.79517e+05   -1.71581e+04   -2.15372e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20421e+04   -1.73437e+06    3.46844e+05   -1.38752e+06   -2.17052e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11279e+02   -2.11223e+02   -1.22921e+02    3.52175e-06

           Step           Time
      231045000   462090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68212e+03    1.77992e+04    1.23536e+04    1.04512e+03   -2.96231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51608e+03    1.04187e+05    2.81983e+05   -1.71902e+04   -2.15794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18589e+04   -1.73667e+06    3.46157e+05   -1.39051e+06   -2.16682e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10663e+02   -2.12013e+02    3.09107e+01    3.63334e-06

           Step           Time
      231050000   462100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73065e+03    1.81847e+04    1.25795e+04    1.05216e+03   -2.95812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45709e+03    1.04092e+05    2.80937e+05   -1.71873e+04   -2.15405e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21574e+04   -1.73301e+06    3.46510e+05   -1.38650e+06   -2.16528e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10979e+02   -2.11942e+02    4.69088e+01    3.56188e-06

           Step           Time
      231055000   462110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57057e+03    1.84152e+04    1.26214e+04    1.09026e+03   -2.91745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48196e+03    1.04406e+05    2.81223e+05   -1.71597e+04   -2.15416e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21454e+04   -1.73229e+06    3.46107e+05   -1.38618e+06   -2.16149e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10617e+02   -2.11262e+02    2.08370e+01    3.63167e-06

Writing checkpoint, step 231055300 at Fri Dec  1 22:08:07 2023


           Step           Time
      231060000   462120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60046e+03    1.77533e+04    1.26171e+04    1.04718e+03   -2.91415e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45429e+03    1.04324e+05    2.82155e+05   -1.71755e+04   -2.15861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21485e+04   -1.73660e+06    3.44887e+05   -1.39171e+06   -2.16301e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09523e+02   -2.11651e+02    2.05503e+01    3.51151e-06

           Step           Time
      231065000   462130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45178e+03    1.82789e+04    1.25670e+04    1.17734e+03   -2.94498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54892e+03    1.04312e+05    2.80331e+05   -1.71638e+04   -2.15400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20836e+04   -1.73336e+06    3.47019e+05   -1.38634e+06   -2.15896e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11436e+02   -2.11363e+02    4.71300e+01    3.62748e-06

           Step           Time
      231070000   462140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44426e+03    1.81710e+04    1.24884e+04    1.04546e+03   -3.00018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50841e+03    1.04753e+05    2.81811e+05   -1.72508e+04   -2.15876e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19602e+04   -1.73683e+06    3.47121e+05   -1.38971e+06   -2.15192e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11528e+02   -2.13511e+02    8.13861e+01    3.55512e-06

           Step           Time
      231075000   462150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80660e+03    1.81717e+04    1.23998e+04    1.00923e+03   -2.92611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38800e+03    1.03919e+05    2.82708e+05   -1.72227e+04   -2.15860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20338e+04   -1.73631e+06    3.46349e+05   -1.38996e+06   -2.15124e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10835e+02   -2.12815e+02    2.18399e+01    3.61010e-06

           Step           Time
      231080000   462160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39808e+03    1.82386e+04    1.25288e+04    1.09245e+03   -2.85782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46158e+03    1.04244e+05    2.79670e+05   -1.71829e+04   -2.15254e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19161e+04   -1.73303e+06    3.46191e+05   -1.38684e+06   -2.14966e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10693e+02   -2.11835e+02   -1.08262e+01    3.49482e-06

           Step           Time
      231085000   462170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79947e+03    1.83827e+04    1.25700e+04    1.10635e+03   -2.97050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48407e+03    1.04009e+05    2.81521e+05   -1.72341e+04   -2.15481e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20420e+04   -1.73310e+06    3.47427e+05   -1.38567e+06   -2.14751e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11802e+02   -2.13097e+02    1.17654e+02    3.63392e-06

           Step           Time
      231090000   462180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32510e+03    1.78192e+04    1.24457e+04    1.11510e+03   -2.88924e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69853e+03    1.04205e+05    2.83442e+05   -1.72435e+04   -2.16208e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17779e+04   -1.73938e+06    3.46362e+05   -1.39302e+06   -2.14478e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10847e+02   -2.13329e+02    1.51029e+02    3.40232e-06

           Step           Time
      231095000   462190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69297e+03    1.80350e+04    1.23027e+04    1.09699e+03   -2.89052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48480e+03    1.03824e+05    2.82284e+05   -1.71750e+04   -2.15715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20144e+04   -1.73548e+06    3.47332e+05   -1.38815e+06   -2.14511e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11717e+02   -2.11639e+02   -2.30037e+01    3.53464e-06

           Step           Time
      231100000   462200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65654e+03    1.83380e+04    1.23991e+04    1.11456e+03   -2.91092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45865e+03    1.03623e+05    2.79967e+05   -1.71870e+04   -2.15355e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20380e+04   -1.73405e+06    3.47788e+05   -1.38627e+06   -2.13924e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12126e+02   -2.11934e+02   -2.67906e+01    3.44100e-06

           Step           Time
      231105000   462210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53755e+03    1.82060e+04    1.23163e+04    1.18461e+03   -2.97189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45938e+03    1.03602e+05    2.80988e+05   -1.71979e+04   -2.15613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19569e+04   -1.73605e+06    3.48104e+05   -1.38795e+06   -2.13760e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12410e+02   -2.12203e+02    5.23706e+01    3.63267e-06

           Step           Time
      231110000   462220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57174e+03    1.79736e+04    1.24826e+04    1.14543e+03   -2.86198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51043e+03    1.03633e+05    2.82030e+05   -1.71673e+04   -2.15653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19034e+04   -1.73531e+06    3.46735e+05   -1.38857e+06   -2.13225e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11181e+02   -2.11451e+02   -2.75987e+01    3.47419e-06

           Step           Time
      231115000   462230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51750e+03    1.84653e+04    1.24077e+04    1.02477e+03   -3.02201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47023e+03    1.04174e+05    2.79489e+05   -1.71733e+04   -2.15339e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20236e+04   -1.73402e+06    3.47011e+05   -1.38701e+06   -2.13101e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11429e+02   -2.11597e+02   -8.26951e+01    3.64195e-06

           Step           Time
      231120000   462240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77991e+03    1.82573e+04    1.24802e+04    1.06467e+03   -3.10653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37205e+03    1.03279e+05    2.82726e+05   -1.72147e+04   -2.15780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18708e+04   -1.73629e+06    3.47475e+05   -1.38881e+06   -2.12346e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11845e+02   -2.12618e+02    7.40878e+01    3.64851e-06

           Step           Time
      231125000   462250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48461e+03    1.79546e+04    1.24095e+04    9.89080e+02   -3.01214e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53028e+03    1.03628e+05    2.79730e+05   -1.71683e+04   -2.15254e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20528e+04   -1.73394e+06    3.44010e+05   -1.38993e+06   -2.12590e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08736e+02   -2.11474e+02   -4.25109e+01    3.44630e-06

           Step           Time
      231130000   462260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37827e+03    1.80595e+04    1.24185e+04    1.06237e+03   -3.01447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49780e+03    1.04209e+05    2.80491e+05   -1.72074e+04   -2.15660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19908e+04   -1.73671e+06    3.46412e+05   -1.39030e+06   -2.11962e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10891e+02   -2.12439e+02    2.39924e+01    3.56255e-06

           Step           Time
      231135000   462270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69602e+03    1.83386e+04    1.23077e+04    9.69000e+02   -2.91187e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39688e+03    1.03316e+05    2.79821e+05   -1.71595e+04   -2.15266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21273e+04   -1.73376e+06    3.47943e+05   -1.38581e+06   -2.11750e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12265e+02   -2.11257e+02   -6.92444e+01    3.58531e-06

           Step           Time
      231140000   462280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60220e+03    1.81209e+04    1.23366e+04    1.00444e+03   -2.88549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45379e+03    1.03597e+05    2.80523e+05   -1.71738e+04   -2.15282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21394e+04   -1.73311e+06    3.45204e+05   -1.38790e+06   -2.11429e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09807e+02   -2.11610e+02   -5.83004e+01    3.67594e-06

           Step           Time
      231145000   462290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65276e+03    1.81894e+04    1.25730e+04    1.20847e+03   -2.85361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39749e+03    1.03523e+05    2.80757e+05   -1.72074e+04   -2.15622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20530e+04   -1.73593e+06    3.46967e+05   -1.38896e+06   -2.11130e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11389e+02   -2.12437e+02    6.28974e+00    3.50223e-06

           Step           Time
      231150000   462300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67028e+03    1.82317e+04    1.27578e+04    1.07271e+03   -3.02197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45243e+03    1.04090e+05    2.81327e+05   -1.71611e+04   -2.15491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19420e+04   -1.73355e+06    3.47760e+05   -1.38579e+06   -2.10768e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12101e+02   -2.11297e+02    3.73991e+01    3.48403e-06

           Step           Time
      231155000   462310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55244e+03    1.79991e+04    1.24018e+04    1.00866e+03   -2.84058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48676e+03    1.03882e+05    2.79733e+05   -1.71785e+04   -2.15479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19106e+04   -1.73583e+06    3.46237e+05   -1.38959e+06   -2.10461e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10734e+02   -2.11725e+02   -5.67467e+01    3.53047e-06

           Step           Time
      231160000   462320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42462e+03    1.81530e+04    1.25168e+04    1.13191e+03   -2.92982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52274e+03    1.04211e+05    2.82471e+05   -1.71786e+04   -2.15893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19070e+04   -1.73670e+06    3.46458e+05   -1.39024e+06   -2.09755e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10933e+02   -2.11729e+02    7.59111e+01    3.51262e-06

           Step           Time
      231165000   462330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50071e+03    1.85022e+04    1.22790e+04    1.05751e+03   -2.97280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45179e+03    1.03415e+05    2.78285e+05   -1.71920e+04   -2.15409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21198e+04   -1.73665e+06    3.46464e+05   -1.39018e+06   -2.10096e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10938e+02   -2.12058e+02   -1.66793e+02    3.52820e-06

           Step           Time
      231170000   462340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63555e+03    1.80618e+04    1.24041e+04    1.11772e+03   -2.89478e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45363e+03    1.03616e+05    2.80486e+05   -1.71565e+04   -2.15491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18981e+04   -1.73529e+06    3.47709e+05   -1.38758e+06   -2.09292e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12055e+02   -2.11184e+02   -7.02581e+01    3.38608e-06

           Step           Time
      231175000   462350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36496e+03    1.83752e+04    1.24842e+04    1.07453e+03   -2.91875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55378e+03    1.03912e+05    2.80404e+05   -1.71704e+04   -2.15399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20280e+04   -1.73389e+06    3.45594e+05   -1.38829e+06   -2.08719e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10157e+02   -2.11526e+02    1.01505e+01    3.69995e-06

           Step           Time
      231180000   462360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53389e+03    1.82455e+04    1.24180e+04    1.19973e+03   -2.82864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40265e+03    1.03614e+05    2.78242e+05   -1.71769e+04   -2.15106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20072e+04   -1.73340e+06    3.47998e+05   -1.38540e+06   -2.09162e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12315e+02   -2.11687e+02   -1.20501e+02    3.73142e-06

           Step           Time
      231185000   462370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40167e+03    1.79113e+04    1.24275e+04    1.11229e+03   -2.87021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53533e+03    1.03848e+05    2.82887e+05   -1.72323e+04   -2.15994e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18954e+04   -1.73803e+06    3.45379e+05   -1.39265e+06   -2.08516e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09964e+02   -2.13052e+02    6.64597e+01    3.52353e-06

           Step           Time
      231190000   462380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59019e+03    1.83898e+04    1.24491e+04    1.08814e+03   -2.81174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54291e+03    1.03818e+05    2.82575e+05   -1.71959e+04   -2.15627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21288e+04   -1.73370e+06    3.46602e+05   -1.38710e+06   -2.07891e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11062e+02   -2.12155e+02    1.72964e+02    3.57435e-06

           Step           Time
      231195000   462390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55547e+03    1.85107e+04    1.23779e+04    1.10946e+03   -2.89426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43980e+03    1.03772e+05    2.82868e+05   -1.71638e+04   -2.15667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20712e+04   -1.73402e+06    3.47895e+05   -1.38613e+06   -2.07438e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12223e+02   -2.11364e+02    7.55200e+01    3.67670e-06

           Step           Time
      231200000   462400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58559e+03    1.83588e+04    1.22090e+04    1.07436e+03   -2.87066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46294e+03    1.03866e+05    2.80088e+05   -1.71850e+04   -2.15398e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18323e+04   -1.73456e+06    3.47748e+05   -1.38681e+06   -2.07475e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12090e+02   -2.11886e+02   -3.07180e+01    3.49559e-06

           Step           Time
      231205000   462410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54591e+03    1.80703e+04    1.25777e+04    1.03069e+03   -2.94479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61359e+03    1.03440e+05    2.83614e+05   -1.72091e+04   -2.15868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20607e+04   -1.73588e+06    3.46068e+05   -1.38981e+06   -2.06830e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10582e+02   -2.12479e+02    1.34936e+02    3.69541e-06

           Step           Time
      231210000   462420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59818e+03    1.78241e+04    1.23792e+04    1.05705e+03   -2.90561e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54559e+03    1.03900e+05    2.82024e+05   -1.71435e+04   -2.15832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20642e+04   -1.73698e+06    3.45104e+05   -1.39188e+06   -2.06710e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09718e+02   -2.10864e+02   -3.23199e+01    3.49618e-06

           Step           Time
      231215000   462430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50058e+03    1.82687e+04    1.24273e+04    1.08882e+03   -2.89022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44159e+03    1.04257e+05    2.79643e+05   -1.72269e+04   -2.15435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19015e+04   -1.73494e+06    3.47416e+05   -1.38752e+06   -2.06389e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11792e+02   -2.12918e+02    2.26425e+01    3.61095e-06

           Step           Time
      231220000   462440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33762e+03    1.83786e+04    1.25664e+04    1.13275e+03   -2.98015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47964e+03    1.04141e+05    2.79151e+05   -1.72007e+04   -2.15473e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20811e+04   -1.73564e+06    3.47898e+05   -1.38774e+06   -2.06392e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12225e+02   -2.12272e+02   -1.08762e+02    3.52399e-06

           Step           Time
      231225000   462450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28845e+03    1.84938e+04    1.24861e+04    1.11079e+03   -2.95017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52196e+03    1.04055e+05    2.81810e+05   -1.72043e+04   -2.15697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19052e+04   -1.73545e+06    3.46721e+05   -1.38873e+06   -2.05541e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11168e+02   -2.12361e+02    1.02895e+02    3.63627e-06

           Step           Time
      231230000   462460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82433e+03    1.79245e+04    1.22899e+04    1.08623e+03   -2.81870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53781e+03    1.03747e+05    2.79860e+05   -1.71983e+04   -2.15339e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20903e+04   -1.73404e+06    3.44891e+05   -1.38915e+06   -2.05275e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09526e+02   -2.12213e+02   -5.86830e+01    3.62324e-06

           Step           Time
      231235000   462470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56713e+03    1.82238e+04    1.24404e+04    1.14261e+03   -2.85198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52233e+03    1.03735e+05    2.80624e+05   -1.72476e+04   -2.15454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20344e+04   -1.73435e+06    3.46722e+05   -1.38763e+06   -2.04935e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11170e+02   -2.13430e+02    4.51939e+01    3.61498e-06

           Step           Time
      231240000   462480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54137e+03    1.83650e+04    1.21793e+04    1.13281e+03   -2.89516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37334e+03    1.03775e+05    2.77221e+05   -1.72199e+04   -2.14824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20730e+04   -1.73169e+06    3.46341e+05   -1.38535e+06   -2.04846e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10827e+02   -2.12746e+02   -1.13844e+02    3.53839e-06

           Step           Time
      231245000   462490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68730e+03    1.83944e+04    1.21908e+04    1.11158e+03   -2.81287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42973e+03    1.03778e+05    2.78566e+05   -1.72008e+04   -2.15388e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21644e+04   -1.73557e+06    3.47752e+05   -1.38782e+06   -2.04870e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12094e+02   -2.12276e+02   -9.06562e+01    3.42913e-06

           Step           Time
      231250000   462500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49507e+03    1.81109e+04    1.22137e+04    1.11274e+03   -2.79861e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46827e+03    1.03529e+05    2.80303e+05   -1.72139e+04   -2.15531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20723e+04   -1.73602e+06    3.46276e+05   -1.38974e+06   -2.04359e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10769e+02   -2.12598e+02   -5.46253e+01    3.75334e-06

           Step           Time
      231255000   462510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36243e+03    1.81445e+04    1.22095e+04    1.05304e+03   -2.78748e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60464e+03    1.04218e+05    2.81427e+05   -1.71999e+04   -2.15783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19153e+04   -1.73688e+06    3.45970e+05   -1.39091e+06   -2.03515e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10494e+02   -2.12254e+02    4.19395e+01    3.52980e-06

           Step           Time
      231260000   462520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59715e+03    1.81593e+04    1.23205e+04    1.14803e+03   -2.94976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50245e+03    1.04280e+05    2.79776e+05   -1.71708e+04   -2.15106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19739e+04   -1.73142e+06    3.45163e+05   -1.38626e+06   -2.03324e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09770e+02   -2.11537e+02    2.39274e+01    3.56272e-06

           Step           Time
      231265000   462530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66643e+03    1.86089e+04    1.23122e+04    1.04723e+03   -2.96342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43947e+03    1.03658e+05    2.81568e+05   -1.72100e+04   -2.15695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19855e+04   -1.73584e+06    3.48446e+05   -1.38739e+06   -2.03431e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12716e+02   -2.12502e+02    9.00116e+00    3.69770e-06

           Step           Time
      231270000   462540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67701e+03    1.79308e+04    1.23403e+04    1.05579e+03   -2.93634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50242e+03    1.03775e+05    2.80437e+05   -1.71953e+04   -2.15638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20303e+04   -1.73676e+06    3.47058e+05   -1.38970e+06   -2.03164e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11471e+02   -2.12139e+02   -6.94369e+01    3.67631e-06

           Step           Time
      231275000   462550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38454e+03    1.79715e+04    1.23643e+04    1.04535e+03   -2.88226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68939e+03    1.03845e+05    2.80469e+05   -1.71926e+04   -2.15420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21683e+04   -1.73434e+06    3.44921e+05   -1.38942e+06   -2.02634e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09553e+02   -2.12072e+02    8.97148e+01    3.44017e-06

           Step           Time
      231280000   462560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62693e+03    1.87421e+04    1.23218e+04    9.95876e+02   -2.92981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51471e+03    1.03546e+05    2.83994e+05   -1.71924e+04   -2.15981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20901e+04   -1.73610e+06    3.47065e+05   -1.38904e+06   -2.02815e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11478e+02   -2.12068e+02    1.07846e+02    3.49131e-06

           Step           Time
      231285000   462570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47769e+03    1.79911e+04    1.23212e+04    1.05873e+03   -2.82933e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52724e+03    1.03492e+05    2.80310e+05   -1.71832e+04   -2.15620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18960e+04   -1.73714e+06    3.46602e+05   -1.39053e+06   -2.02654e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11062e+02   -2.11842e+02   -1.95469e+01    3.44606e-06

           Step           Time
      231290000   462580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49259e+03    1.78164e+04    1.23846e+04    1.07297e+03   -2.85371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63109e+03    1.03563e+05    2.80388e+05   -1.71822e+04   -2.15679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19440e+04   -1.73754e+06    3.47458e+05   -1.39008e+06   -2.02240e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11830e+02   -2.11817e+02   -3.89933e+01    3.50501e-06

           Step           Time
      231295000   462590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62101e+03    1.79115e+04    1.21654e+04    1.14081e+03   -2.89970e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56216e+03    1.03607e+05    2.84208e+05   -1.71874e+04   -2.15969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21374e+04   -1.73642e+06    3.45635e+05   -1.39078e+06   -2.01549e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10194e+02   -2.11946e+02    1.00823e+02    3.72033e-06

           Step           Time
      231300000   462600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.12656e+03    1.79398e+04    1.22817e+04    1.09883e+03   -2.93120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59879e+03    1.03809e+05    2.82433e+05   -1.71808e+04   -2.15696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21342e+04   -1.73565e+06    3.45389e+05   -1.39026e+06   -2.01512e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09973e+02   -2.11783e+02    9.92013e+01    3.53984e-06

           Step           Time
      231305000   462610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69662e+03    1.80316e+04    1.24138e+04    1.15415e+03   -2.87999e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46729e+03    1.03459e+05    2.80313e+05   -1.71870e+04   -2.15418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18941e+04   -1.73482e+06    3.47517e+05   -1.38731e+06   -2.01246e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11883e+02   -2.11935e+02   -9.30160e+00    3.89209e-06

           Step           Time
      231310000   462620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60388e+03    1.83861e+04    1.23610e+04    1.15776e+03   -2.99151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44673e+03    1.03675e+05    2.79493e+05   -1.71577e+04   -2.15253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19872e+04   -1.73357e+06    3.47203e+05   -1.38637e+06   -2.01139e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11601e+02   -2.11215e+02   -9.39610e+01    3.68908e-06

           Step           Time
      231315000   462630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54671e+03    1.81107e+04    1.24907e+04    1.13815e+03   -2.96471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55574e+03    1.03311e+05    2.79413e+05   -1.71918e+04   -2.15386e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20050e+04   -1.73544e+06    3.46883e+05   -1.38856e+06   -2.00609e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11314e+02   -2.12054e+02   -2.23886e+01    3.63432e-06

           Step           Time
      231320000   462640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58410e+03    1.80901e+04    1.21751e+04    1.07515e+03   -2.82756e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58558e+03    1.03499e+05    2.80017e+05   -1.71475e+04   -2.15443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21090e+04   -1.73527e+06    3.47155e+05   -1.38812e+06   -2.00128e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11558e+02   -2.10963e+02   -5.71405e+01    3.59961e-06

           Step           Time
      231325000   462650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54736e+03    1.81916e+04    1.24284e+04    1.08470e+03   -2.92645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69626e+03    1.04072e+05    2.80111e+05   -1.71559e+04   -2.15284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21926e+04   -1.73260e+06    3.45425e+05   -1.38718e+06   -1.99512e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10005e+02   -2.11170e+02   -2.21363e+01    3.62724e-06

           Step           Time
      231330000   462660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50603e+03    1.84561e+04    1.24710e+04    9.81143e+02   -2.97855e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58125e+03    1.03852e+05    2.80166e+05   -1.72035e+04   -2.15573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18225e+04   -1.73608e+06    3.46790e+05   -1.38929e+06   -1.99181e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11230e+02   -2.12342e+02    2.06477e+01    3.66734e-06

           Step           Time
      231335000   462670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57188e+03    1.81125e+04    1.25425e+04    1.07415e+03   -2.78957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54958e+03    1.03943e+05    2.80634e+05   -1.72090e+04   -2.15354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20967e+04   -1.73301e+06    3.48462e+05   -1.38455e+06   -1.99105e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12731e+02   -2.12478e+02    6.98249e+01    3.62784e-06

           Step           Time
      231340000   462680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56667e+03    1.84777e+04    1.21388e+04    1.04313e+03   -2.75217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56648e+03    1.03680e+05    2.82078e+05   -1.71910e+04   -2.15629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19318e+04   -1.73475e+06    3.46890e+05   -1.38786e+06   -1.98730e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11320e+02   -2.12034e+02    4.47221e+01    3.60994e-06

           Step           Time
      231345000   462690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50754e+03    1.83479e+04    1.24732e+04    1.07744e+03   -2.92551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46345e+03    1.03764e+05    2.81323e+05   -1.71376e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20794e+04   -1.73423e+06    3.45325e+05   -1.38891e+06   -1.98504e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09916e+02   -2.10719e+02   -2.89109e+01    3.62640e-06

           Step           Time
      231350000   462700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68353e+03    1.83861e+04    1.23939e+04    1.07027e+03   -2.92749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48099e+03    1.03892e+05    2.81473e+05   -1.72102e+04   -2.15668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18209e+04   -1.73562e+06    3.45512e+05   -1.39011e+06   -1.97852e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10084e+02   -2.12506e+02    7.06431e-01    3.55855e-06

           Step           Time
      231355000   462710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36535e+03    1.82515e+04    1.22770e+04    9.89961e+02   -2.83981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57422e+03    1.03708e+05    2.78700e+05   -1.71968e+04   -2.15454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19432e+04   -1.73677e+06    3.44865e+05   -1.39190e+06   -1.97841e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09503e+02   -2.12177e+02   -9.69923e+01    3.49743e-06

           Step           Time
      231360000   462720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43778e+03    1.83601e+04    1.25016e+04    1.16493e+03   -2.93189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52217e+03    1.03594e+05    2.81841e+05   -1.72048e+04   -2.15577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20207e+04   -1.73447e+06    3.44942e+05   -1.38953e+06   -1.97089e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09572e+02   -2.12375e+02    2.18885e+01    3.68321e-06

           Step           Time
      231365000   462730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59179e+03    1.83238e+04    1.21884e+04    1.05199e+03   -2.81072e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44192e+03    1.03853e+05    2.79558e+05   -1.71794e+04   -2.15283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19643e+04   -1.73385e+06    3.47075e+05   -1.38677e+06   -1.97105e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11486e+02   -2.11749e+02   -6.85798e+01    3.42080e-06

           Step           Time
      231370000   462740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48713e+03    1.81688e+04    1.25467e+04    1.09934e+03   -3.00955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47452e+03    1.03796e+05    2.81116e+05   -1.71743e+04   -2.15390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20175e+04   -1.73338e+06    3.46489e+05   -1.38689e+06   -1.96639e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10960e+02   -2.11623e+02    1.10218e+01    3.68686e-06

           Step           Time
      231375000   462750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39213e+03    1.84569e+04    1.24161e+04    1.10753e+03   -2.89167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50457e+03    1.04067e+05    2.79774e+05   -1.71542e+04   -2.15399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19752e+04   -1.73434e+06    3.45806e+05   -1.38854e+06   -1.96404e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10347e+02   -2.11128e+02   -5.45104e+01    3.65751e-06

           Step           Time
      231380000   462760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48213e+03    1.83258e+04    1.24576e+04    1.05787e+03   -2.93004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52634e+03    1.03836e+05    2.79882e+05   -1.71782e+04   -2.15335e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19322e+04   -1.73396e+06    3.47816e+05   -1.38615e+06   -1.96179e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12152e+02   -2.11719e+02   -7.64100e+01    3.62656e-06

           Step           Time
      231385000   462770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42542e+03    1.81920e+04    1.24036e+04    1.16858e+03   -2.92604e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58484e+03    1.04018e+05    2.80567e+05   -1.71567e+04   -2.15562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20311e+04   -1.73531e+06    3.45026e+05   -1.39029e+06   -1.95721e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09647e+02   -2.11190e+02   -1.32056e+01    3.46637e-06

           Step           Time
      231390000   462780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53137e+03    1.83814e+04    1.24592e+04    1.11985e+03   -2.99477e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58339e+03    1.03419e+05    2.79398e+05   -1.71533e+04   -2.15197e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19573e+04   -1.73327e+06    3.46808e+05   -1.38646e+06   -1.95485e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11247e+02   -2.11106e+02   -9.23685e+00    3.63323e-06

           Step           Time
      231395000   462790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72665e+03    1.84340e+04    1.24863e+04    1.12524e+03   -3.01432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48012e+03    1.03756e+05    2.76649e+05   -1.71959e+04   -2.15006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19138e+04   -1.73370e+06    3.45414e+05   -1.38829e+06   -1.94965e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09995e+02   -2.12155e+02   -1.57562e+02    3.56978e-06

           Step           Time
      231400000   462800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37583e+03    1.80821e+04    1.23072e+04    1.01823e+03   -2.79252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61022e+03    1.03887e+05    2.82508e+05   -1.71980e+04   -2.15922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19619e+04   -1.73746e+06    3.47576e+05   -1.38989e+06   -1.95114e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11936e+02   -2.12206e+02    6.60351e+01    3.53865e-06

           Step           Time
      231405000   462810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51750e+03    1.84356e+04    1.23942e+04    1.07614e+03   -2.87727e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36802e+03    1.03719e+05    2.80707e+05   -1.72169e+04   -2.15600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19990e+04   -1.73588e+06    3.46163e+05   -1.38972e+06   -1.94374e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10668e+02   -2.12673e+02   -7.20594e+01    3.50325e-06

           Step           Time
      231410000   462820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54279e+03    1.85209e+04    1.25042e+04    1.08338e+03   -3.02671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55336e+03    1.04040e+05    2.80426e+05   -1.71712e+04   -2.15727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19345e+04   -1.73687e+06    3.46906e+05   -1.38996e+06   -1.94068e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11335e+02   -2.11547e+02    9.57557e+00    3.43893e-06

           Step           Time
      231415000   462830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39000e+03    1.79381e+04    1.23684e+04    1.07615e+03   -2.81448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55157e+03    1.03580e+05    2.83528e+05   -1.72031e+04   -2.15977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21075e+04   -1.73725e+06    3.46740e+05   -1.39051e+06   -1.94328e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11186e+02   -2.12333e+02    1.21456e+02    3.60597e-06

           Step           Time
      231420000   462840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60203e+03    1.82245e+04    1.23874e+04    1.06180e+03   -2.90549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53875e+03    1.03268e+05    2.80329e+05   -1.71608e+04   -2.15384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20727e+04   -1.73443e+06    3.46914e+05   -1.38751e+06   -1.93552e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11342e+02   -2.11290e+02    1.25785e+01    3.61869e-06

           Step           Time
      231425000   462850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43086e+03    1.80002e+04    1.24658e+04    1.07962e+03   -2.81550e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47411e+03    1.04221e+05    2.79250e+05   -1.72136e+04   -2.15572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20003e+04   -1.73683e+06    3.46317e+05   -1.39052e+06   -1.93301e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10806e+02   -2.12592e+02   -1.40478e+02    3.46054e-06

           Step           Time
      231430000   462860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40192e+03    1.83194e+04    1.22544e+04    1.04889e+03   -2.78566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62623e+03    1.03685e+05    2.80874e+05   -1.71946e+04   -2.15550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19449e+04   -1.73532e+06    3.46735e+05   -1.38859e+06   -1.93221e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11181e+02   -2.12122e+02    5.32842e+01    3.64472e-06

           Step           Time
      231435000   462870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56693e+03    1.83476e+04    1.23302e+04    1.07891e+03   -2.78928e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50959e+03    1.03569e+05    2.80925e+05   -1.71309e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19611e+04   -1.73483e+06    3.45285e+05   -1.38955e+06   -1.92855e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09880e+02   -2.10555e+02   -8.88139e+01    3.66356e-06

           Step           Time
      231440000   462880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60479e+03    1.82118e+04    1.26114e+04    1.02394e+03   -2.94758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43666e+03    1.03957e+05    2.77430e+05   -1.71660e+04   -2.15147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21116e+04   -1.73419e+06    3.45851e+05   -1.38834e+06   -1.92534e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10388e+02   -2.11418e+02   -1.96946e+02    3.54068e-06

           Step           Time
      231445000   462890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55518e+03    1.87126e+04    1.24641e+04    1.13705e+03   -2.90526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52333e+03    1.03428e+05    2.79972e+05   -1.72224e+04   -2.15497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21869e+04   -1.73512e+06    3.47656e+05   -1.38746e+06   -1.91840e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12008e+02   -2.12808e+02   -3.56468e+01    3.56531e-06

           Step           Time
      231450000   462900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67952e+03    1.81866e+04    1.23863e+04    1.05214e+03   -3.00504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62420e+03    1.04406e+05    2.80246e+05   -1.72090e+04   -2.15469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20473e+04   -1.73428e+06    3.46403e+05   -1.38788e+06   -1.91925e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10883e+02   -2.12477e+02    5.02327e+01    3.63354e-06

           Step           Time
      231455000   462910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41282e+03    1.80852e+04    1.24397e+04    1.09538e+03   -2.90374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57091e+03    1.04112e+05    2.79863e+05   -1.72446e+04   -2.15450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20033e+04   -1.73507e+06    3.44996e+05   -1.39007e+06   -1.91734e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09620e+02   -2.13357e+02    4.67485e+01    3.59881e-06

           Step           Time
      231460000   462920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44661e+03    1.83559e+04    1.24756e+04    1.05792e+03   -3.00356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56677e+03    1.04291e+05    2.80650e+05   -1.71930e+04   -2.15576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21245e+04   -1.73499e+06    3.45495e+05   -1.38949e+06   -1.91025e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10068e+02   -2.12083e+02    2.33311e+01    3.78501e-06

           Step           Time
      231465000   462930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37825e+03    1.80771e+04    1.24508e+04    1.04060e+03   -3.08515e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68340e+03    1.03723e+05    2.80197e+05   -1.72179e+04   -2.15418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19935e+04   -1.73494e+06    3.48825e+05   -1.38612e+06   -1.91440e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13057e+02   -2.12696e+02    6.38059e+01    3.90683e-06

           Step           Time
      231470000   462940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49174e+03    1.86239e+04    1.22389e+04    1.05651e+03   -2.85174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48573e+03    1.03377e+05    2.82026e+05   -1.71903e+04   -2.15545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20366e+04   -1.73416e+06    3.45894e+05   -1.38826e+06   -1.90448e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10426e+02   -2.12015e+02    7.81264e+01    3.56965e-06

           Step           Time
      231475000   462950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31253e+03    1.82834e+04    1.24649e+04    1.09524e+03   -3.04368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67729e+03    1.04374e+05    2.80773e+05   -1.71598e+04   -2.15603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20680e+04   -1.73519e+06    3.48115e+05   -1.38707e+06   -1.90656e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12419e+02   -2.11267e+02    1.72065e+01    3.70079e-06

           Step           Time
      231480000   462960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68700e+03    1.81417e+04    1.24851e+04    1.05322e+03   -2.86052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36837e+03    1.04317e+05    2.80626e+05   -1.71728e+04   -2.15514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19688e+04   -1.73452e+06    3.45095e+05   -1.38943e+06   -1.89848e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09709e+02   -2.11586e+02   -3.12199e+01    3.61843e-06

           Step           Time
      231485000   462970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40812e+03    1.81831e+04    1.23542e+04    1.02180e+03   -2.85688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57873e+03    1.03774e+05    2.81103e+05   -1.72381e+04   -2.15689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19957e+04   -1.73657e+06    3.47484e+05   -1.38908e+06   -1.89822e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11853e+02   -2.13195e+02    7.49959e+01    3.64190e-06

           Step           Time
      231490000   462980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34934e+03    1.77184e+04    1.23571e+04    1.05700e+03   -2.92395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42851e+03    1.03979e+05    2.81183e+05   -1.71556e+04   -2.15864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19457e+04   -1.73870e+06    3.44813e+05   -1.39389e+06   -1.89408e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09456e+02   -2.11163e+02   -6.95454e+01    3.51616e-06

           Step           Time
      231495000   462990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32241e+03    1.78637e+04    1.24194e+04    1.05277e+03   -2.96101e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49900e+03    1.04219e+05    2.81483e+05   -1.72167e+04   -2.15815e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20912e+04   -1.73737e+06    3.46283e+05   -1.39109e+06   -1.89222e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10775e+02   -2.12667e+02    3.68330e+01    3.63694e-06

           Step           Time
      231500000   463000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40901e+03    1.81458e+04    1.25385e+04    1.07667e+03   -2.79732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66536e+03    1.03823e+05    2.79584e+05   -1.71949e+04   -2.15514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19019e+04   -1.73599e+06    3.45650e+05   -1.39034e+06   -1.88928e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10207e+02   -2.12129e+02   -4.18440e+01    3.65547e-06

           Step           Time
      231505000   463010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36331e+03    1.79495e+04    1.24031e+04    1.02915e+03   -2.89058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50637e+03    1.03732e+05    2.81573e+05   -1.71720e+04   -2.15629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20778e+04   -1.73572e+06    3.47290e+05   -1.38843e+06   -1.88849e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11679e+02   -2.11566e+02    1.43293e+00    3.74613e-06

           Step           Time
      231510000   463020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62236e+03    1.78720e+04    1.23207e+04    1.07961e+03   -2.85848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47346e+03    1.03941e+05    2.79032e+05   -1.72081e+04   -2.15457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18496e+04   -1.73644e+06    3.45325e+05   -1.39112e+06   -1.88181e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09916e+02   -2.12456e+02   -6.65775e+01    3.53575e-06

           Step           Time
      231515000   463030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60770e+03    1.79328e+04    1.23965e+04    1.09439e+03   -2.91757e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56902e+03    1.04214e+05    2.82478e+05   -1.71939e+04   -2.15837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20704e+04   -1.73612e+06    3.47049e+05   -1.38907e+06   -1.87928e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11463e+02   -2.12106e+02    5.91163e+01    3.54491e-06

           Step           Time
      231520000   463040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90914e+03    1.77653e+04    1.23371e+04    1.01671e+03   -2.85349e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66738e+03    1.03853e+05    2.83199e+05   -1.71881e+04   -2.15632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20255e+04   -1.73359e+06    3.45335e+05   -1.38826e+06   -1.87216e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09925e+02   -2.11962e+02    1.23750e+02    3.67888e-06

           Step           Time
      231525000   463050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44198e+03    1.85003e+04    1.23832e+04    1.02894e+03   -2.87418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55136e+03    1.03847e+05    2.78813e+05   -1.71639e+04   -2.15256e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20965e+04   -1.73393e+06    3.46567e+05   -1.38736e+06   -1.87590e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11031e+02   -2.11367e+02   -2.43575e+01    3.65863e-06

           Step           Time
      231530000   463060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33603e+03    1.82531e+04    1.24540e+04    1.02808e+03   -2.90518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44913e+03    1.03625e+05    2.82363e+05   -1.71754e+04   -2.15966e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20479e+04   -1.73819e+06    3.45347e+05   -1.39284e+06   -1.86969e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09935e+02   -2.11651e+02   -3.80478e+01    3.50415e-06

           Step           Time
      231535000   463070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43145e+03    1.80490e+04    1.23693e+04    1.07389e+03   -2.89715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55012e+03    1.03883e+05    2.80971e+05   -1.71790e+04   -2.15677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20698e+04   -1.73645e+06    3.48086e+05   -1.38836e+06   -1.87004e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12394e+02   -2.11737e+02   -7.42204e+00    3.64185e-06

           Step           Time
      231540000   463080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69803e+03    1.81425e+04    1.23572e+04    1.03893e+03   -2.84204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47763e+03    1.03401e+05    2.80212e+05   -1.71938e+04   -2.15601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19610e+04   -1.73676e+06    3.47250e+05   -1.38951e+06   -1.86620e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11643e+02   -2.12102e+02   -3.33611e+01    3.67136e-06

           Step           Time
      231545000   463090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51568e+03    1.89098e+04    1.25184e+04    1.10821e+03   -2.89616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53734e+03    1.03449e+05    2.81654e+05   -1.71877e+04   -2.15690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19849e+04   -1.73531e+06    3.47556e+05   -1.38775e+06   -1.86368e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11918e+02   -2.11953e+02    2.38348e+01    3.44003e-06

           Step           Time
      231550000   463100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53596e+03    1.86372e+04    1.23468e+04    1.03396e+03   -2.93100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63737e+03    1.03847e+05    2.77447e+05   -1.71516e+04   -2.14962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19863e+04   -1.73223e+06    3.47929e+05   -1.38430e+06   -1.86254e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12253e+02   -2.11063e+02   -8.18267e+01    3.70155e-06

           Step           Time
      231555000   463110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44124e+03    1.82252e+04    1.25252e+04    1.16733e+03   -2.98806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55256e+03    1.03743e+05    2.80827e+05   -1.72225e+04   -2.15982e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22108e+04   -1.73934e+06    3.47391e+05   -1.39195e+06   -1.85368e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11770e+02   -2.12811e+02    1.63517e+01    3.52814e-06

           Step           Time
      231560000   463120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58622e+03    1.83357e+04    1.23751e+04    1.04723e+03   -2.86752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53641e+03    1.03642e+05    2.80953e+05   -1.71779e+04   -2.15525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18117e+04   -1.73501e+06    3.47166e+05   -1.38784e+06   -1.85700e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11568e+02   -2.11711e+02    4.08840e+01    3.62266e-06

           Step           Time
      231565000   463130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64625e+03    1.80293e+04    1.24618e+04    1.14108e+03   -2.83729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58943e+03    1.03726e+05    2.81384e+05   -1.72035e+04   -2.15466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21870e+04   -1.73353e+06    3.47983e+05   -1.38555e+06   -1.85394e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12302e+02   -2.12341e+02    4.50890e+01    3.67678e-06

           Step           Time
      231570000   463140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39576e+03    1.83131e+04    1.24084e+04    1.13050e+03   -2.92618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52149e+03    1.03750e+05    2.80037e+05   -1.71918e+04   -2.15453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19523e+04   -1.73514e+06    3.46663e+05   -1.38848e+06   -1.84998e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11117e+02   -2.12054e+02    5.00674e+00    3.47974e-06

           Step           Time
      231575000   463150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62182e+03    1.82604e+04    1.24352e+04    1.10585e+03   -2.81208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46558e+03    1.03814e+05    2.80695e+05   -1.71650e+04   -2.15535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17806e+04   -1.73515e+06    3.45773e+05   -1.38938e+06   -1.84661e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10318e+02   -2.11394e+02   -4.56992e+01    3.68660e-06

           Step           Time
      231580000   463160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60445e+03    1.85350e+04    1.23257e+04    1.13539e+03   -2.80858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44306e+03    1.03239e+05    2.81446e+05   -1.71584e+04   -2.15540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20328e+04   -1.73460e+06    3.48375e+05   -1.38623e+06   -1.84478e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12653e+02   -2.11232e+02   -1.14567e-01    3.65698e-06

           Step           Time
      231585000   463170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67290e+03    1.82507e+04    1.22954e+04    1.04331e+03   -2.79899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45330e+03    1.03514e+05    2.78813e+05   -1.71988e+04   -2.15210e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18978e+04   -1.73416e+06    3.47120e+05   -1.38704e+06   -1.84151e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11527e+02   -2.12225e+02   -6.79676e+01    3.62610e-06

           Step           Time
      231590000   463180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76162e+03    1.79796e+04    1.22529e+04    1.09324e+03   -2.80672e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37477e+03    1.03805e+05    2.81141e+05   -1.71838e+04   -2.15566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20088e+04   -1.73524e+06    3.43722e+05   -1.39152e+06   -1.83088e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08477e+02   -2.11856e+02   -3.73226e+01    3.53132e-06

           Step           Time
      231595000   463190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38274e+03    1.82034e+04    1.22675e+04    1.05440e+03   -2.89167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59443e+03    1.03650e+05    2.80259e+05   -1.71866e+04   -2.15378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19682e+04   -1.73447e+06    3.46607e+05   -1.38787e+06   -1.83745e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11067e+02   -2.11924e+02    4.19268e+00    3.60123e-06

           Step           Time
      231600000   463200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63085e+03    1.79453e+04    1.23260e+04    1.09820e+03   -2.84770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41541e+03    1.04258e+05    2.81623e+05   -1.71840e+04   -2.15715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22072e+04   -1.73568e+06    3.47106e+05   -1.38857e+06   -1.83172e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11514e+02   -2.11861e+02    1.47798e+01    3.67231e-06

           Step           Time
      231605000   463210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62056e+03    1.83009e+04    1.24287e+04    1.11386e+03   -2.93145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53970e+03    1.04061e+05    2.82729e+05   -1.71932e+04   -2.15840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20445e+04   -1.73568e+06    3.47481e+05   -1.38820e+06   -1.82541e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11851e+02   -2.12089e+02    6.13681e+01    3.60640e-06

           Step           Time
      231610000   463220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.13996e+03    1.81340e+04    1.23921e+04    1.14807e+03   -2.81418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54552e+03    1.03967e+05    2.78709e+05   -1.72313e+04   -2.15444e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18380e+04   -1.73662e+06    3.45932e+05   -1.39069e+06   -1.82445e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10460e+02   -2.13027e+02    1.34346e-01    3.69881e-06

           Step           Time
      231615000   463230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42352e+03    1.83198e+04    1.24538e+04    1.02568e+03   -2.88677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46714e+03    1.03958e+05    2.79276e+05   -1.71527e+04   -2.15062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19660e+04   -1.73177e+06    3.46259e+05   -1.38551e+06   -1.82329e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10754e+02   -2.11092e+02   -1.18070e+02    3.66518e-06

           Step           Time
      231620000   463240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46244e+03    1.83910e+04    1.24801e+04    1.25166e+03   -2.90043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59604e+03    1.04222e+05    2.83516e+05   -1.72212e+04   -2.15896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17931e+04   -1.73537e+06    3.45631e+05   -1.38974e+06   -1.81400e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10190e+02   -2.12779e+02    8.53216e+01    3.69066e-06

           Step           Time
      231625000   463250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51316e+03    1.80820e+04    1.22161e+04    1.03371e+03   -2.67482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43669e+03    1.04452e+05    2.79977e+05   -1.71779e+04   -2.15575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20658e+04   -1.73583e+06    3.44363e+05   -1.39146e+06   -1.80721e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09052e+02   -2.11712e+02   -7.43582e+01    3.54346e-06

           Step           Time
      231630000   463260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57737e+03    1.84852e+04    1.22556e+04    1.12759e+03   -2.84625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45153e+03    1.03243e+05    2.84185e+05   -1.71799e+04   -2.15894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17961e+04   -1.73585e+06    3.46404e+05   -1.38944e+06   -1.80559e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10884e+02   -2.11761e+02    1.27097e+02    3.70929e-06

           Step           Time
      231635000   463270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35365e+03    1.86075e+04    1.22464e+04    1.18363e+03   -2.86283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48602e+03    1.03599e+05    2.80617e+05   -1.71638e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18748e+04   -1.73730e+06    3.44928e+05   -1.39237e+06   -1.80434e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09559e+02   -2.11364e+02   -5.86631e+01    3.41499e-06

           Step           Time
      231640000   463280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63887e+03    1.82847e+04    1.24960e+04    1.17922e+03   -2.96986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43295e+03    1.03908e+05    2.78771e+05   -1.71435e+04   -2.15065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21029e+04   -1.73195e+06    3.47858e+05   -1.38409e+06   -1.80029e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12189e+02   -2.10865e+02   -4.97279e+01    3.65928e-06

           Step           Time
      231645000   463290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54905e+03    1.81725e+04    1.23455e+04    1.04002e+03   -2.87856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46144e+03    1.04599e+05    2.80325e+05   -1.72002e+04   -2.15766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19036e+04   -1.73735e+06    3.45695e+05   -1.39165e+06   -1.79861e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10248e+02   -2.12260e+02   -4.38261e+01    3.57015e-06

           Step           Time
      231650000   463300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69760e+03    1.83220e+04    1.24415e+04    1.10551e+03   -2.93718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42317e+03    1.03029e+05    2.80482e+05   -1.71751e+04   -2.15145e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21882e+04   -1.73187e+06    3.47259e+05   -1.38461e+06   -1.79742e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11651e+02   -2.11641e+02   -1.19420e-01    3.61555e-06

           Step           Time
      231655000   463310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71652e+03    1.80613e+04    1.23372e+04    1.03875e+03   -2.90368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40981e+03    1.03699e+05    2.81858e+05   -1.71737e+04   -2.15779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18344e+04   -1.73691e+06    3.46880e+05   -1.39003e+06   -1.79416e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11311e+02   -2.11608e+02   -3.35582e+01    3.61537e-06

           Step           Time
      231660000   463320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54579e+03    1.78840e+04    1.25695e+04    1.10719e+03   -2.91627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56807e+03    1.03922e+05    2.81010e+05   -1.71750e+04   -2.15441e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20897e+04   -1.73381e+06    3.45614e+05   -1.38820e+06   -1.78794e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10175e+02   -2.11639e+02    3.85657e+01    3.57731e-06

           Step           Time
      231665000   463330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64303e+03    1.85145e+04    1.24563e+04    1.10770e+03   -2.88166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63380e+03    1.03180e+05    2.81520e+05   -1.71996e+04   -2.15586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20185e+04   -1.73487e+06    3.47228e+05   -1.38764e+06   -1.78178e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11623e+02   -2.12245e+02    8.78853e+01    3.44821e-06

           Step           Time
      231670000   463340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59173e+03    1.82900e+04    1.23781e+04    1.07614e+03   -2.96163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42731e+03    1.03734e+05    2.81180e+05   -1.71886e+04   -2.15782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20915e+04   -1.73720e+06    3.45539e+05   -1.39167e+06   -1.78081e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10108e+02   -2.11975e+02   -3.12320e+01    3.51059e-06

           Step           Time
      231675000   463350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76493e+03    1.85017e+04    1.23294e+04    1.07888e+03   -2.93240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55688e+03    1.04197e+05    2.82201e+05   -1.71714e+04   -2.15632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20123e+04   -1.73378e+06    3.47749e+05   -1.38603e+06   -1.77400e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12091e+02   -2.11552e+02    4.85553e+01    3.60008e-06

           Step           Time
      231680000   463360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44067e+03    1.82277e+04    1.22451e+04    1.09325e+03   -2.92762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47704e+03    1.04323e+05    2.77644e+05   -1.71654e+04   -2.15394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21517e+04   -1.73643e+06    3.47171e+05   -1.38926e+06   -1.77885e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11573e+02   -2.11402e+02   -1.75780e+02    3.65004e-06

           Step           Time
      231685000   463370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63279e+03    1.78554e+04    1.24160e+04    1.18533e+03   -2.90518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39253e+03    1.04216e+05    2.79105e+05   -1.71552e+04   -2.15210e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21499e+04   -1.73321e+06    3.46125e+05   -1.38708e+06   -1.77502e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10634e+02   -2.11152e+02   -4.16970e+01    3.58761e-06

           Step           Time
      231690000   463380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71377e+03    1.81865e+04    1.24935e+04    1.07225e+03   -2.92202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50623e+03    1.03688e+05    2.80234e+05   -1.72273e+04   -2.15536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17210e+04   -1.73590e+06    3.47966e+05   -1.38793e+06   -1.77385e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12286e+02   -2.12928e+02   -1.15130e+01    3.50593e-06

           Step           Time
      231695000   463390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52962e+03    1.79980e+04    1.23354e+04    1.13444e+03   -2.95165e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51702e+03    1.04016e+05    2.81028e+05   -1.72125e+04   -2.15409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21404e+04   -1.73355e+06    3.45850e+05   -1.38770e+06   -1.77036e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10387e+02   -2.12564e+02    6.78526e+01    3.70383e-06

           Step           Time
      231700000   463400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58593e+03    1.84792e+04    1.24789e+04    1.08051e+03   -2.91197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59612e+03    1.03632e+05    2.80494e+05   -1.71764e+04   -2.15355e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18993e+04   -1.73339e+06    3.48760e+05   -1.38463e+06   -1.76721e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12999e+02   -2.11675e+02    3.23523e+01    3.63865e-06

           Step           Time
      231705000   463410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54840e+03    1.82349e+04    1.23092e+04    1.12484e+03   -2.95230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52957e+03    1.04012e+05    2.79994e+05   -1.71588e+04   -2.15457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20900e+04   -1.73484e+06    3.46494e+05   -1.38835e+06   -1.76625e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10965e+02   -2.11242e+02   -3.15945e+01    3.58018e-06

           Step           Time
      231710000   463420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50816e+03    1.80602e+04    1.25861e+04    1.03895e+03   -2.92220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53259e+03    1.03379e+05    2.81877e+05   -1.71885e+04   -2.15549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18790e+04   -1.73474e+06    3.45208e+05   -1.38953e+06   -1.76472e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09811e+02   -2.11972e+02   -1.50530e+01    3.80793e-06

           Step           Time
      231715000   463430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46071e+03    1.82104e+04    1.23803e+04    1.05736e+03   -2.86202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57289e+03    1.03535e+05    2.78926e+05   -1.72105e+04   -2.15356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19167e+04   -1.73557e+06    3.47077e+05   -1.38849e+06   -1.76199e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11488e+02   -2.12514e+02   -5.44449e+01    3.34860e-06

           Step           Time
      231720000   463440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44191e+03    1.82232e+04    1.23737e+04    1.08172e+03   -2.90612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65729e+03    1.04174e+05    2.81091e+05   -1.71899e+04   -2.15508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18834e+04   -1.73425e+06    3.48535e+05   -1.38571e+06   -1.75605e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12797e+02   -2.12007e+02    1.27928e+02    3.66753e-06

           Step           Time
      231725000   463450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24775e+03    1.83627e+04    1.23755e+04    1.00581e+03   -2.81313e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50769e+03    1.03537e+05    2.82606e+05   -1.71612e+04   -2.15636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20004e+04   -1.73469e+06    3.47006e+05   -1.38769e+06   -1.75504e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11424e+02   -2.11300e+02    1.30638e+02    3.89693e-06

Writing checkpoint, step 231729500 at Fri Dec  1 22:23:07 2023


           Step           Time
      231730000   463460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59614e+03    1.84398e+04    1.24093e+04    1.09392e+03   -2.87130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57544e+03    1.04375e+05    2.81222e+05   -1.71862e+04   -2.15518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19599e+04   -1.73357e+06    3.46311e+05   -1.38726e+06   -1.74568e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10800e+02   -2.11914e+02    7.98481e+01    3.74379e-06

           Step           Time
      231735000   463470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55244e+03    1.83337e+04    1.23915e+04    1.11849e+03   -2.95421e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45356e+03    1.04026e+05    2.79667e+05   -1.71681e+04   -2.15503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22520e+04   -1.73536e+06    3.47181e+05   -1.38818e+06   -1.74461e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11582e+02   -2.11469e+02   -6.88843e+01    3.76901e-06

           Step           Time
      231740000   463480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48436e+03    1.81787e+04    1.22866e+04    1.16600e+03   -2.88981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53662e+03    1.03884e+05    2.81615e+05   -1.72371e+04   -2.15739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19361e+04   -1.73642e+06    3.47183e+05   -1.38924e+06   -1.74340e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11583e+02   -2.13172e+02    7.32267e+01    3.48151e-06

           Step           Time
      231745000   463490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61217e+03    1.83882e+04    1.23470e+04    1.08796e+03   -2.77953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53629e+03    1.03169e+05    2.79459e+05   -1.71247e+04   -2.15238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21005e+04   -1.73358e+06    3.45437e+05   -1.38815e+06   -1.73768e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10017e+02   -2.10403e+02   -3.92180e+01    3.45677e-06

           Step           Time
      231750000   463500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62886e+03    1.80123e+04    1.24771e+04    1.11313e+03   -2.87654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61399e+03    1.04264e+05    2.80548e+05   -1.72014e+04   -2.15561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19606e+04   -1.73507e+06    3.47148e+05   -1.38792e+06   -1.73901e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11552e+02   -2.12291e+02   -8.57651e+01    3.76322e-06

           Step           Time
      231755000   463510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61371e+03    1.83032e+04    1.25151e+04    1.08551e+03   -2.92661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54042e+03    1.03958e+05    2.80421e+05   -1.71819e+04   -2.15568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19725e+04   -1.73538e+06    3.47779e+05   -1.38760e+06   -1.73302e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12118e+02   -2.11811e+02   -5.89913e+01    3.67647e-06

           Step           Time
      231760000   463520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52548e+03    1.82847e+04    1.22085e+04    1.06307e+03   -2.78153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46767e+03    1.03717e+05    2.81992e+05   -1.72152e+04   -2.15875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20206e+04   -1.73747e+06    3.48307e+05   -1.38916e+06   -1.73515e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12592e+02   -2.12630e+02    2.13848e+01    3.46410e-06

           Step           Time
      231765000   463530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41386e+03    1.83481e+04    1.24923e+04    1.14504e+03   -2.90434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53283e+03    1.03700e+05    2.82438e+05   -1.71935e+04   -2.15740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20349e+04   -1.73539e+06    3.46180e+05   -1.38921e+06   -1.72752e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10683e+02   -2.12096e+02    6.75061e+01    3.64867e-06

           Step           Time
      231770000   463540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53642e+03    1.86176e+04    1.24493e+04    1.14872e+03   -2.93091e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42548e+03    1.03906e+05    2.81167e+05   -1.71649e+04   -2.15555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18761e+04   -1.73452e+06    3.45064e+05   -1.38945e+06   -1.72324e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09682e+02   -2.11392e+02   -1.71438e+01    3.57092e-06

           Step           Time
      231775000   463550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64009e+03    1.84831e+04    1.23917e+04    1.04574e+03   -2.73662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52590e+03    1.03967e+05    2.80464e+05   -1.71766e+04   -2.15533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18642e+04   -1.73486e+06    3.47046e+05   -1.38781e+06   -1.72065e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11460e+02   -2.11679e+02   -6.22907e+01    3.70429e-06

           Step           Time
      231780000   463560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58739e+03    1.85102e+04    1.23236e+04    1.07784e+03   -2.93319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47730e+03    1.03557e+05    2.79589e+05   -1.71916e+04   -2.15371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20122e+04   -1.73470e+06    3.44323e+05   -1.39038e+06   -1.71865e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09017e+02   -2.12049e+02   -1.45043e+01    3.68991e-06

           Step           Time
      231785000   463570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62173e+03    1.81634e+04    1.24422e+04    1.14326e+03   -2.85868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53251e+03    1.04303e+05    2.80176e+05   -1.71723e+04   -2.15202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21480e+04   -1.73152e+06    3.46112e+05   -1.38541e+06   -1.71509e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10622e+02   -2.11573e+02    3.07081e+01    3.67121e-06

           Step           Time
      231790000   463580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71325e+03    1.80814e+04    1.24201e+04    1.05617e+03   -2.87111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42261e+03    1.03809e+05    2.78770e+05   -1.71254e+04   -2.15404e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19677e+04   -1.73580e+06    3.46987e+05   -1.38881e+06   -1.71415e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11407e+02   -2.10419e+02   -1.77068e+02    3.64793e-06

           Step           Time
      231795000   463590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66500e+03    1.81123e+04    1.24818e+04    1.11879e+03   -2.88085e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40214e+03    1.03564e+05    2.79652e+05   -1.71775e+04   -2.15567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18846e+04   -1.73685e+06    3.45942e+05   -1.39090e+06   -1.70912e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10470e+02   -2.11702e+02   -1.39673e+02    3.46904e-06

           Step           Time
      231800000   463600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51645e+03    1.78926e+04    1.24459e+04    1.08697e+03   -2.84935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52951e+03    1.04101e+05    2.82453e+05   -1.71658e+04   -2.15694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21826e+04   -1.73474e+06    3.44848e+05   -1.38989e+06   -1.70574e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09488e+02   -2.11413e+02    8.36488e+01    3.66741e-06

           Step           Time
      231805000   463610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46148e+03    1.81074e+04    1.24140e+04    1.09502e+03   -2.82517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52957e+03    1.04056e+05    2.84692e+05   -1.72331e+04   -2.16246e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19793e+04   -1.73819e+06    3.45034e+05   -1.39315e+06   -1.70186e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09655e+02   -2.13071e+02    1.22731e+02    3.57764e-06

           Step           Time
      231810000   463620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70789e+03    1.83555e+04    1.25684e+04    1.11340e+03   -2.96862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40595e+03    1.03865e+05    2.83641e+05   -1.72276e+04   -2.15937e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20397e+04   -1.73587e+06    3.48037e+05   -1.38783e+06   -1.69770e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12349e+02   -2.12936e+02    9.03138e+01    3.55940e-06

           Step           Time
      231815000   463630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38619e+03    1.86420e+04    1.25006e+04    1.06490e+03   -2.99463e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53158e+03    1.04139e+05    2.80635e+05   -1.71392e+04   -2.15637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19602e+04   -1.73564e+06    3.46690e+05   -1.38895e+06   -1.69438e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11141e+02   -2.10760e+02   -3.08002e+01    3.66544e-06

           Step           Time
      231820000   463640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.10817e+03    1.77465e+04    1.25229e+04    1.08829e+03   -2.84564e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64484e+03    1.04164e+05    2.81592e+05   -1.71848e+04   -2.15800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20263e+04   -1.73714e+06    3.46610e+05   -1.39053e+06   -1.69812e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11069e+02   -2.11880e+02    4.89684e+01    3.64605e-06

           Step           Time
      231825000   463650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29170e+03    1.81887e+04    1.25128e+04    1.10121e+03   -2.93088e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65349e+03    1.04228e+05    2.78818e+05   -1.71986e+04   -2.15185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18893e+04   -1.73329e+06    3.45703e+05   -1.38759e+06   -1.69069e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10255e+02   -2.12221e+02    4.70320e+01    3.48723e-06

           Step           Time
      231830000   463660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52429e+03    1.80739e+04    1.24824e+04    1.14663e+03   -2.82951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46793e+03    1.03914e+05    2.83063e+05   -1.72078e+04   -2.15666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18489e+04   -1.73418e+06    3.46060e+05   -1.38812e+06   -1.69091e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10575e+02   -2.12448e+02    9.95276e+01    3.53878e-06

           Step           Time
      231835000   463670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61739e+03    1.87545e+04    1.25029e+04    1.08440e+03   -2.94799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44564e+03    1.04012e+05    2.81956e+05   -1.72091e+04   -2.15703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18837e+04   -1.73493e+06    3.46271e+05   -1.38866e+06   -1.67894e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10765e+02   -2.12480e+02    2.15857e+01    3.42699e-06

           Step           Time
      231840000   463680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61507e+03    1.82413e+04    1.24186e+04    1.06301e+03   -2.80612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56516e+03    1.04168e+05    2.79174e+05   -1.71564e+04   -2.15067e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22027e+04   -1.73119e+06    3.47928e+05   -1.38326e+06   -1.68458e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12252e+02   -2.11183e+02   -4.76527e+01    3.69159e-06

           Step           Time
      231845000   463690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47954e+03    1.76778e+04    1.24058e+04    1.17364e+03   -2.82752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58307e+03    1.04104e+05    2.83306e+05   -1.71386e+04   -2.15727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19463e+04   -1.73456e+06    3.46240e+05   -1.38832e+06   -1.67868e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10737e+02   -2.10744e+02    5.19921e+01    3.56068e-06

           Step           Time
      231850000   463700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29101e+03    1.81463e+04    1.22962e+04    1.10348e+03   -2.93645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61422e+03    1.03946e+05    2.80999e+05   -1.71874e+04   -2.15491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22152e+04   -1.73442e+06    3.46919e+05   -1.38750e+06   -1.67874e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11346e+02   -2.11945e+02    6.29551e+01    3.63234e-06

           Step           Time
      231855000   463710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42552e+03    1.80894e+04    1.23494e+04    9.95206e+02   -2.98202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52915e+03    1.03618e+05    2.82095e+05   -1.72093e+04   -2.15796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20134e+04   -1.73704e+06    3.45844e+05   -1.39119e+06   -1.67695e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10381e+02   -2.12483e+02    5.31804e+01    3.55877e-06

           Step           Time
      231860000   463720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71219e+03    1.82761e+04    1.23238e+04    1.11037e+03   -2.91777e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39635e+03    1.03618e+05    2.79677e+05   -1.71897e+04   -2.15426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19317e+04   -1.73532e+06    3.46551e+05   -1.38877e+06   -1.67158e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11016e+02   -2.12001e+02   -1.00719e+02    3.39852e-06

           Step           Time
      231865000   463730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42008e+03    1.81562e+04    1.23262e+04    1.08827e+03   -2.93009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55015e+03    1.03977e+05    2.83299e+05   -1.71825e+04   -2.15478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21796e+04   -1.73189e+06    3.45569e+05   -1.38632e+06   -1.66458e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10135e+02   -2.11823e+02    1.29748e+02    3.64918e-06

           Step           Time
      231870000   463740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26575e+03    1.81975e+04    1.25034e+04    1.10170e+03   -2.87486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47746e+03    1.03830e+05    2.81250e+05   -1.71708e+04   -2.15507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20695e+04   -1.73442e+06    3.47036e+05   -1.38739e+06   -1.66640e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11452e+02   -2.11537e+02    8.60952e+01    3.70360e-06

           Step           Time
      231875000   463750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62741e+03    1.83109e+04    1.25158e+04    1.03179e+03   -2.93427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54749e+03    1.04149e+05    2.80375e+05   -1.71461e+04   -2.15272e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20328e+04   -1.73221e+06    3.46511e+05   -1.38570e+06   -1.65705e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10980e+02   -2.10928e+02    1.93112e+01    3.67338e-06

           Step           Time
      231880000   463760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66112e+03    1.78896e+04    1.23317e+04    1.02792e+03   -2.88067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52152e+03    1.04527e+05    2.80095e+05   -1.71854e+04   -2.15152e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18817e+04   -1.73165e+06    3.47939e+05   -1.38371e+06   -1.65765e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12262e+02   -2.11895e+02    3.16276e+01    3.64560e-06

           Step           Time
      231885000   463770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45351e+03    1.77551e+04    1.24351e+04    1.10935e+03   -2.83764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52274e+03    1.04266e+05    2.82595e+05   -1.71845e+04   -2.15721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19739e+04   -1.73512e+06    3.47001e+05   -1.38812e+06   -1.65268e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11420e+02   -2.11872e+02    9.95517e+01    3.51677e-06

           Step           Time
      231890000   463780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52667e+03    1.80933e+04    1.23621e+04    1.11188e+03   -2.85218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50249e+03    1.04081e+05    2.83179e+05   -1.72114e+04   -2.15925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21298e+04   -1.73633e+06    3.44552e+05   -1.39178e+06   -1.64216e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09222e+02   -2.12537e+02    2.55846e+01    3.60506e-06

           Step           Time
      231895000   463790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50002e+03    1.80659e+04    1.25122e+04    1.13376e+03   -2.86251e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59615e+03    1.03981e+05    2.77951e+05   -1.71580e+04   -2.15207e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20177e+04   -1.73433e+06    3.46097e+05   -1.38824e+06   -1.64455e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10608e+02   -2.11222e+02   -4.71420e+01    3.62012e-06

           Step           Time
      231900000   463800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.22968e+03    1.78929e+04    1.24633e+04    1.08504e+03   -2.88050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66539e+03    1.04695e+05    2.77493e+05   -1.71569e+04   -2.15131e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19512e+04   -1.73388e+06    3.47012e+05   -1.38686e+06   -1.64268e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11430e+02   -2.11195e+02   -9.55061e+01    3.50454e-06

           Step           Time
      231905000   463810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40459e+03    1.81325e+04    1.22362e+04    1.04382e+03   -2.89669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53370e+03    1.04323e+05    2.80819e+05   -1.71887e+04   -2.15716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21280e+04   -1.73662e+06    3.47264e+05   -1.38936e+06   -1.63858e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11656e+02   -2.11977e+02    1.06576e+01    3.52525e-06

           Step           Time
      231910000   463820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41615e+03    1.80728e+04    1.24434e+04    9.98754e+02   -2.87281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55361e+03    1.04524e+05    2.81743e+05   -1.72191e+04   -2.15866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19752e+04   -1.73703e+06    3.45807e+05   -1.39122e+06   -1.63368e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10348e+02   -2.12727e+02    1.07846e+01    3.56562e-06

           Step           Time
      231915000   463830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54314e+03    1.78811e+04    1.25226e+04    1.12023e+03   -2.82281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42364e+03    1.04250e+05    2.83132e+05   -1.71207e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19662e+04   -1.73266e+06    3.46231e+05   -1.38643e+06   -1.63471e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10729e+02   -2.10304e+02    6.81682e+00    3.55625e-06

           Step           Time
      231920000   463840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59449e+03    1.80586e+04    1.25486e+04    1.08433e+03   -2.88039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38583e+03    1.04432e+05    2.82027e+05   -1.72188e+04   -2.15771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20936e+04   -1.73559e+06    3.46038e+05   -1.38955e+06   -1.62985e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10556e+02   -2.12720e+02    5.51999e+01    3.75097e-06

           Step           Time
      231925000   463850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49791e+03    1.85210e+04    1.23064e+04    1.00723e+03   -2.98063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55390e+03    1.04111e+05    2.82767e+05   -1.71616e+04   -2.15858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20325e+04   -1.73592e+06    3.46064e+05   -1.38986e+06   -1.62191e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10579e+02   -2.11311e+02    6.24683e+01    3.68895e-06

           Step           Time
      231930000   463860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59782e+03    1.82200e+04    1.22979e+04    1.02128e+03   -2.81954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47623e+03    1.04215e+05    2.80884e+05   -1.72052e+04   -2.15705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19117e+04   -1.73645e+06    3.46317e+05   -1.39013e+06   -1.62478e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10806e+02   -2.12385e+02   -6.24442e+01    3.58709e-06

           Step           Time
      231935000   463870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39177e+03    1.82083e+04    1.25741e+04    1.09065e+03   -2.87047e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56518e+03    1.04316e+05    2.80941e+05   -1.72075e+04   -2.15544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18602e+04   -1.73457e+06    3.47927e+05   -1.38664e+06   -1.62201e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12251e+02   -2.12441e+02    2.11418e+01    3.53789e-06

           Step           Time
      231940000   463880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54991e+03    1.82111e+04    1.24211e+04    1.10708e+03   -3.01633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41086e+03    1.04301e+05    2.80863e+05   -1.71939e+04   -2.15767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19853e+04   -1.73703e+06    3.46229e+05   -1.39080e+06   -1.61825e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10727e+02   -2.12105e+02   -4.60971e+01    3.49177e-06

           Step           Time
      231945000   463890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43405e+03    1.82872e+04    1.25285e+04    1.03213e+03   -2.87470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56841e+03    1.04354e+05    2.80129e+05   -1.71952e+04   -2.15345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18124e+04   -1.73337e+06    3.47431e+05   -1.38594e+06   -1.61966e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11806e+02   -2.12137e+02    1.87103e+01    3.63474e-06

           Step           Time
      231950000   463900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46673e+03    1.79507e+04    1.23341e+04    1.20708e+03   -2.90729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55088e+03    1.04353e+05    2.82467e+05   -1.71591e+04   -2.15885e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19906e+04   -1.73659e+06    3.46782e+05   -1.38981e+06   -1.61578e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11223e+02   -2.11249e+02    4.11958e+01    3.48414e-06

           Step           Time
      231955000   463910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54078e+03    1.83356e+04    1.23662e+04    1.09774e+03   -2.90402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40855e+03    1.04460e+05    2.79804e+05   -1.71855e+04   -2.15383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19757e+04   -1.73393e+06    3.47432e+05   -1.38650e+06   -1.61341e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11807e+02   -2.11898e+02   -7.25036e+01    3.62229e-06

           Step           Time
      231960000   463920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57794e+03    1.81378e+04    1.23417e+04    1.06483e+03   -3.00432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51870e+03    1.03996e+05    2.80983e+05   -1.72017e+04   -2.15851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19953e+04   -1.73810e+06    3.44243e+05   -1.39386e+06   -1.61175e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08945e+02   -2.12297e+02   -8.20355e+01    3.68314e-06

           Step           Time
      231965000   463930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39601e+03    1.78983e+04    1.23748e+04    1.09210e+03   -2.89067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49266e+03    1.03608e+05    2.80666e+05   -1.72236e+04   -2.15845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18463e+04   -1.73919e+06    3.45458e+05   -1.39373e+06   -1.61196e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10035e+02   -2.12837e+02   -3.61787e+01    3.55775e-06

           Step           Time
      231970000   463940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55434e+03    1.82869e+04    1.23355e+04    1.09712e+03   -2.90611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45758e+03    1.04221e+05    2.81745e+05   -1.71918e+04   -2.15559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18696e+04   -1.73412e+06    3.46497e+05   -1.38762e+06   -1.60819e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10967e+02   -2.12054e+02    7.33355e+01    3.59839e-06

           Step           Time
      231975000   463950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66583e+03    1.83865e+04    1.25048e+04    1.09539e+03   -2.92548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45489e+03    1.04054e+05    2.81889e+05   -1.72127e+04   -2.15718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20547e+04   -1.73521e+06    3.46213e+05   -1.38900e+06   -1.60234e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10712e+02   -2.12569e+02    3.30326e+01    3.48259e-06

           Step           Time
      231980000   463960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56164e+03    1.81497e+04    1.23050e+04    1.06608e+03   -2.83431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49332e+03    1.03508e+05    2.81615e+05   -1.71892e+04   -2.15593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20851e+04   -1.73516e+06    3.47812e+05   -1.38735e+06   -1.60536e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12148e+02   -2.11988e+02    5.13460e+01    3.57670e-06

           Step           Time
      231985000   463970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24897e+03    1.82216e+04    1.23892e+04    1.07762e+03   -2.77257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63198e+03    1.03694e+05    2.80206e+05   -1.71830e+04   -2.15373e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22300e+04   -1.73398e+06    3.45818e+05   -1.38817e+06   -1.59582e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10358e+02   -2.11837e+02   -3.20767e+01    3.60282e-06

           Step           Time
      231990000   463980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50866e+03    1.83357e+04    1.24974e+04    1.07012e+03   -2.94850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48019e+03    1.03725e+05    2.82184e+05   -1.71463e+04   -2.15549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21774e+04   -1.73361e+06    3.45945e+05   -1.38766e+06   -1.59450e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10472e+02   -2.10933e+02    2.58420e+01    3.64979e-06

           Step           Time
      231995000   463990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47887e+03    1.77950e+04    1.25106e+04    1.08205e+03   -2.80916e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55922e+03    1.04164e+05    2.83916e+05   -1.72190e+04   -2.15945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18992e+04   -1.73607e+06    3.46766e+05   -1.38931e+06   -1.59630e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11209e+02   -2.12724e+02    1.67523e+02    3.56748e-06

           Step           Time
      232000000   464000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52180e+03    1.80428e+04    1.25013e+04    1.08189e+03   -2.93325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45599e+03    1.03858e+05    2.80753e+05   -1.71825e+04   -2.15463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19020e+04   -1.73463e+06    3.47237e+05   -1.38739e+06   -1.59435e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11632e+02   -2.11825e+02    1.02010e+01    3.67211e-06

           Step           Time
      232005000   464010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72052e+03    1.81102e+04    1.23158e+04    1.03814e+03   -2.98570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43237e+03    1.03816e+05    2.81756e+05   -1.72445e+04   -2.15659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20023e+04   -1.73563e+06    3.46493e+05   -1.38914e+06   -1.58646e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10964e+02   -2.13354e+02    8.65139e+01    3.61000e-06

           Step           Time
      232010000   464020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40096e+03    1.76987e+04    1.23719e+04    1.07542e+03   -2.90255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57080e+03    1.04564e+05    2.81647e+05   -1.72293e+04   -2.15729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20789e+04   -1.73602e+06    3.45260e+05   -1.39076e+06   -1.58520e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09858e+02   -2.12978e+02    3.44541e+01    3.69720e-06

           Step           Time
      232015000   464030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70123e+03    1.80183e+04    1.25085e+04    1.13444e+03   -2.88494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50028e+03    1.04392e+05    2.80384e+05   -1.71947e+04   -2.15327e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20102e+04   -1.73270e+06    3.47808e+05   -1.38489e+06   -1.58108e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12144e+02   -2.12125e+02    4.42395e+01    3.51158e-06

           Step           Time
      232020000   464040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60942e+03    1.82181e+04    1.24490e+04    1.17906e+03   -2.89287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46857e+03    1.04155e+05    2.80130e+05   -1.71741e+04   -2.15394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21165e+04   -1.73368e+06    3.45308e+05   -1.38837e+06   -1.57769e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09901e+02   -2.11617e+02   -2.53824e+01    3.48527e-06

           Step           Time
      232025000   464050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53434e+03    1.80070e+04    1.25609e+04    1.03692e+03   -2.93305e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51196e+03    1.03701e+05    2.81115e+05   -1.71777e+04   -2.15603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21807e+04   -1.73549e+06    3.46799e+05   -1.38870e+06   -1.57754e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11239e+02   -2.11706e+02   -7.12078e+01    3.81446e-06

           Step           Time
      232030000   464060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50447e+03    1.86665e+04    1.24315e+04    1.13414e+03   -2.78572e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47570e+03    1.03742e+05    2.77613e+05   -1.71867e+04   -2.15129e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20538e+04   -1.73364e+06    3.47602e+05   -1.38604e+06   -1.57374e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11960e+02   -2.11926e+02   -1.40987e+02    3.57679e-06

           Step           Time
      232035000   464070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28494e+03    1.78556e+04    1.23117e+04    9.98856e+02   -3.03993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51894e+03    1.04052e+05    2.80929e+05   -1.71915e+04   -2.15748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20990e+04   -1.73766e+06    3.43924e+05   -1.39374e+06   -1.57160e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08658e+02   -2.12047e+02   -4.24577e+01    3.63421e-06

           Step           Time
      232040000   464080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31488e+03    1.86628e+04    1.22761e+04    1.14222e+03   -2.93335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61557e+03    1.04143e+05    2.78867e+05   -1.71509e+04   -2.14987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20828e+04   -1.73085e+06    3.48591e+05   -1.38226e+06   -1.56944e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12847e+02   -2.11048e+02   -2.39374e+01    3.71618e-06

           Step           Time
      232045000   464090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62256e+03    1.77732e+04    1.22936e+04    1.02969e+03   -2.81313e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66378e+03    1.04285e+05    2.82920e+05   -1.71984e+04   -2.15832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20056e+04   -1.73574e+06    3.45936e+05   -1.38980e+06   -1.56320e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10464e+02   -2.12216e+02    7.43960e+01    3.51787e-06

           Step           Time
      232050000   464100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25936e+03    1.80024e+04    1.24359e+04    1.07279e+03   -2.89500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62231e+03    1.04127e+05    2.81200e+05   -1.71391e+04   -2.15477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20481e+04   -1.73403e+06    3.46839e+05   -1.38719e+06   -1.56361e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11275e+02   -2.10758e+02    5.27406e+01    3.53469e-06

           Step           Time
      232055000   464110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40117e+03    1.82676e+04    1.23399e+04    1.01333e+03   -2.86073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40888e+03    1.03846e+05    2.79802e+05   -1.71583e+04   -2.15365e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19620e+04   -1.73463e+06    3.46991e+05   -1.38764e+06   -1.55672e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11411e+02   -2.11229e+02   -1.06061e+02    3.48584e-06

           Step           Time
      232060000   464120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52361e+03    1.82073e+04    1.22505e+04    1.16245e+03   -2.86407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51552e+03    1.04007e+05    2.85255e+05   -1.72010e+04   -2.16059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18211e+04   -1.73591e+06    3.46570e+05   -1.38934e+06   -1.54909e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11033e+02   -2.12279e+02    1.07484e+02    3.52892e-06

           Step           Time
      232065000   464130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55890e+03    1.83040e+04    1.24137e+04    1.07194e+03   -2.87787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52679e+03    1.03863e+05    2.80361e+05   -1.72013e+04   -2.15571e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20141e+04   -1.73568e+06    3.45954e+05   -1.38972e+06   -1.54404e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10480e+02   -2.12288e+02   -4.09056e+01    3.53562e-06

           Step           Time
      232070000   464140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30032e+03    1.79464e+04    1.25589e+04    1.13994e+03   -2.97026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58099e+03    1.03769e+05    2.80927e+05   -1.72228e+04   -2.15583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19863e+04   -1.73581e+06    3.45923e+05   -1.38989e+06   -1.54806e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10453e+02   -2.12818e+02    8.96881e+01    3.74451e-06

           Step           Time
      232075000   464150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61855e+03    1.82666e+04    1.23414e+04    1.19707e+03   -2.84316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53680e+03    1.03630e+05    2.80066e+05   -1.71776e+04   -2.15537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19831e+04   -1.73575e+06    3.49397e+05   -1.38636e+06   -1.54342e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13570e+02   -2.11703e+02   -1.05764e+01    3.59261e-06

           Step           Time
      232080000   464160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76522e+03    1.81538e+04    1.23323e+04    1.06587e+03   -2.87422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54657e+03    1.03875e+05    2.79569e+05   -1.71627e+04   -2.15291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20158e+04   -1.73362e+06    3.47073e+05   -1.38655e+06   -1.53689e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11484e+02   -2.11337e+02   -6.01805e+01    3.45471e-06

           Step           Time
      232085000   464170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56759e+03    1.80754e+04    1.21936e+04    1.11840e+03   -2.86729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50786e+03    1.04298e+05    2.81474e+05   -1.71678e+04   -2.15563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20873e+04   -1.73434e+06    3.46370e+05   -1.38797e+06   -1.53001e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10854e+02   -2.11463e+02   -1.40897e+01    3.62425e-06

           Step           Time
      232090000   464180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49456e+03    1.80542e+04    1.24309e+04    1.10247e+03   -2.84289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53390e+03    1.03918e+05    2.79866e+05   -1.71902e+04   -2.15337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20868e+04   -1.73392e+06    3.46053e+05   -1.38787e+06   -1.53160e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10569e+02   -2.12013e+02    9.08807e+00    3.42629e-06

           Step           Time
      232095000   464190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34394e+03    1.81010e+04    1.21665e+04    1.07099e+03   -2.80403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52817e+03    1.04452e+05    2.79019e+05   -1.71660e+04   -2.15450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20963e+04   -1.73569e+06    3.46876e+05   -1.38881e+06   -1.53004e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11308e+02   -2.11418e+02   -8.64854e+01    3.65486e-06

           Step           Time
      232100000   464200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56655e+03    1.82494e+04    1.25926e+04    1.13729e+03   -2.87286e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56336e+03    1.03716e+05    2.78072e+05   -1.71591e+04   -2.15063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20910e+04   -1.73268e+06    3.46652e+05   -1.38602e+06   -1.52774e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11107e+02   -2.11249e+02   -1.20733e+02    3.68873e-06

           Step           Time
      232105000   464210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47545e+03    1.82105e+04    1.24555e+04    1.01327e+03   -2.85596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51915e+03    1.03948e+05    2.78624e+05   -1.71965e+04   -2.15252e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19507e+04   -1.73437e+06    3.45825e+05   -1.38855e+06   -1.52665e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10364e+02   -2.12168e+02   -3.61468e+01    3.53837e-06

           Step           Time
      232110000   464220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78845e+03    1.82112e+04    1.24217e+04    1.00767e+03   -2.79484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55088e+03    1.04158e+05    2.81317e+05   -1.71471e+04   -2.15546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20135e+04   -1.73393e+06    3.47057e+05   -1.38688e+06   -1.52019e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11470e+02   -2.10952e+02   -1.25770e+01    3.58250e-06

           Step           Time
      232115000   464230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38781e+03    1.81676e+04    1.23888e+04    1.06132e+03   -2.89791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41510e+03    1.03618e+05    2.81660e+05   -1.71675e+04   -2.15727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18048e+04   -1.73683e+06    3.44812e+05   -1.39202e+06   -1.51940e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09456e+02   -2.11455e+02    9.35686e+00    3.63422e-06

           Step           Time
      232120000   464240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56385e+03    1.83801e+04    1.24521e+04    1.09323e+03   -2.89922e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50953e+03    1.03910e+05    2.79322e+05   -1.71727e+04   -2.15187e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20742e+04   -1.73264e+06    3.46440e+05   -1.38620e+06   -1.50955e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10916e+02   -2.11584e+02    3.70858e+01    3.46021e-06

           Step           Time
      232125000   464250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51400e+03    1.86062e+04    1.22578e+04    1.15923e+03   -2.82237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37671e+03    1.03715e+05    2.81003e+05   -1.72121e+04   -2.15605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18660e+04   -1.73559e+06    3.47161e+05   -1.38843e+06   -1.50939e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11563e+02   -2.12554e+02   -2.45974e+01    3.77755e-06

           Step           Time
      232130000   464260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53159e+03    1.79125e+04    1.23756e+04    1.09784e+03   -2.96341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50545e+03    1.04237e+05    2.81680e+05   -1.71850e+04   -2.15641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18633e+04   -1.73536e+06    3.46296e+05   -1.38906e+06   -1.50486e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10787e+02   -2.11886e+02    5.12478e+01    3.52576e-06

           Step           Time
      232135000   464270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45013e+03    1.84666e+04    1.23978e+04    1.05369e+03   -2.91122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43328e+03    1.03996e+05    2.79211e+05   -1.71986e+04   -2.15529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20035e+04   -1.73639e+06    3.45930e+05   -1.39046e+06   -1.50442e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10459e+02   -2.12222e+02   -7.27768e+01    3.56574e-06

           Step           Time
      232140000   464280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55639e+03    1.82715e+04    1.24157e+04    1.07738e+03   -2.84401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52823e+03    1.04308e+05    2.79739e+05   -1.72091e+04   -2.15401e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20753e+04   -1.73409e+06    3.47903e+05   -1.38619e+06   -1.49972e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12229e+02   -2.12480e+02    3.64376e+01    3.51147e-06

           Step           Time
      232145000   464290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50860e+03    1.82141e+04    1.23860e+04    1.06707e+03   -2.97725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54639e+03    1.04635e+05    2.80547e+05   -1.71981e+04   -2.15662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19692e+04   -1.73592e+06    3.46561e+05   -1.38936e+06   -1.49738e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11025e+02   -2.12208e+02   -8.19494e+01    3.50471e-06

           Step           Time
      232150000   464300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56041e+03    1.81900e+04    1.24223e+04    1.06115e+03   -2.84166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48648e+03    1.04216e+05    2.81243e+05   -1.72167e+04   -2.15764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19526e+04   -1.73656e+06    3.45924e+05   -1.39064e+06   -1.49970e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10453e+02   -2.12667e+02   -2.01870e+01    3.63926e-06

           Step           Time
      232155000   464310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62354e+03    1.82764e+04    1.24316e+04    1.05214e+03   -2.87033e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49940e+03    1.04263e+05    2.80857e+05   -1.71721e+04   -2.15422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22758e+04   -1.73298e+06    3.47413e+05   -1.38557e+06   -1.49535e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11790e+02   -2.11568e+02   -1.71296e+01    3.72186e-06

           Step           Time
      232160000   464320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82356e+03    1.81937e+04    1.24192e+04    1.07980e+03   -2.96351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42022e+03    1.04245e+05    2.78965e+05   -1.71917e+04   -2.15427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21471e+04   -1.73514e+06    3.47024e+05   -1.38811e+06   -1.49464e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11440e+02   -2.12051e+02   -1.80259e+02    3.70345e-06

           Step           Time
      232165000   464330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52680e+03    1.81007e+04    1.22698e+04    1.04360e+03   -2.95166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45243e+03    1.04414e+05    2.79747e+05   -1.71551e+04   -2.15407e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19684e+04   -1.73465e+06    3.48205e+05   -1.38645e+06   -1.49198e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12501e+02   -2.11149e+02   -7.48977e+01    3.58073e-06

           Step           Time
      232170000   464340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42711e+03    1.79405e+04    1.22536e+04    1.05898e+03   -2.76854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55476e+03    1.04394e+05    2.80236e+05   -1.72138e+04   -2.15813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19395e+04   -1.73831e+06    3.46782e+05   -1.39153e+06   -1.49010e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11224e+02   -2.12596e+02   -2.76583e+01    3.52821e-06

           Step           Time
      232175000   464350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43468e+03    1.78496e+04    1.24995e+04    1.05962e+03   -2.72673e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48527e+03    1.04686e+05    2.81553e+05   -1.71981e+04   -2.15890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20796e+04   -1.73717e+06    3.45824e+05   -1.39135e+06   -1.48868e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10363e+02   -2.12209e+02    5.06946e+01    3.44974e-06

           Step           Time
      232180000   464360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46626e+03    1.79626e+04    1.22537e+04    1.07903e+03   -2.84470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44665e+03    1.04032e+05    2.80809e+05   -1.71727e+04   -2.15783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18425e+04   -1.73796e+06    3.45116e+05   -1.39284e+06   -1.48575e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09728e+02   -2.11583e+02   -1.12299e+02    3.48028e-06

           Step           Time
      232185000   464370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62320e+03    1.85799e+04    1.25027e+04    1.07304e+03   -2.92653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47606e+03    1.04294e+05    2.82577e+05   -1.72038e+04   -2.15781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20933e+04   -1.73472e+06    3.47834e+05   -1.38689e+06   -1.48056e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12168e+02   -2.12349e+02    6.96935e+01    3.55105e-06

           Step           Time
      232190000   464380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40358e+03    1.80803e+04    1.25609e+04    1.03964e+03   -2.87700e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43538e+03    1.04321e+05    2.79306e+05   -1.71927e+04   -2.15441e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21059e+04   -1.73522e+06    3.45840e+05   -1.38938e+06   -1.48209e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10378e+02   -2.12075e+02   -7.78433e+01    3.59693e-06

           Step           Time
      232195000   464390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41141e+03    1.81884e+04    1.22222e+04    1.04367e+03   -2.83428e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41991e+03    1.04249e+05    2.83507e+05   -1.71983e+04   -2.16142e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19363e+04   -1.73847e+06    3.47773e+05   -1.39070e+06   -1.47934e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12113e+02   -2.12213e+02    1.04721e+02    3.63104e-06

           Step           Time
      232200000   464400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43986e+03    1.80889e+04    1.22692e+04    9.74229e+02   -2.95424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50667e+03    1.04013e+05    2.82172e+05   -1.72109e+04   -2.15854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19272e+04   -1.73732e+06    3.46002e+05   -1.39131e+06   -1.47954e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10523e+02   -2.12524e+02    1.31720e+01    3.65655e-06

           Step           Time
      232205000   464410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53879e+03    1.79763e+04    1.22990e+04    1.13856e+03   -2.79926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61349e+03    1.04469e+05    2.81688e+05   -1.71747e+04   -2.15790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18288e+04   -1.73632e+06    3.46541e+05   -1.38978e+06   -1.47479e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11007e+02   -2.11633e+02    4.39140e+01    3.70100e-06

           Step           Time
      232210000   464420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72021e+03    1.84006e+04    1.21264e+04    1.08429e+03   -2.83986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35108e+03    1.04459e+05    2.79421e+05   -1.71923e+04   -2.15414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19711e+04   -1.73464e+06    3.45053e+05   -1.38958e+06   -1.46529e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09672e+02   -2.12065e+02   -8.49728e+01    3.64624e-06

           Step           Time
      232215000   464430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62774e+03    1.83035e+04    1.23895e+04    1.09636e+03   -2.88008e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52890e+03    1.04399e+05    2.79628e+05   -1.71631e+04   -2.15332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21243e+04   -1.73326e+06    3.48717e+05   -1.38454e+06   -1.46531e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12960e+02   -2.11347e+02   -5.60860e+01    3.54991e-06

           Step           Time
      232220000   464440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53077e+03    1.82663e+04    1.22739e+04    1.13427e+03   -2.89349e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74176e+03    1.04412e+05    2.80426e+05   -1.72084e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20332e+04   -1.73502e+06    3.48780e+05   -1.38624e+06   -1.46169e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13017e+02   -2.12462e+02    5.34584e+01    3.64287e-06

           Step           Time
      232225000   464450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44923e+03    1.83144e+04    1.22758e+04    1.01145e+03   -2.81862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55682e+03    1.04506e+05    2.79139e+05   -1.71321e+04   -2.15331e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20601e+04   -1.73394e+06    3.47857e+05   -1.38609e+06   -1.45660e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12188e+02   -2.10584e+02   -9.45648e+01    3.46392e-06

           Step           Time
      232230000   464460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41465e+03    1.84020e+04    1.25060e+04    1.14098e+03   -2.84362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51351e+03    1.04500e+05    2.78846e+05   -1.71809e+04   -2.15323e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19412e+04   -1.73399e+06    3.46765e+05   -1.38723e+06   -1.45376e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11209e+02   -2.11785e+02   -2.78817e+01    3.63157e-06

           Step           Time
      232235000   464470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69043e+03    1.81262e+04    1.25910e+04    1.10659e+03   -2.78850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48162e+03    1.04267e+05    2.81014e+05   -1.71752e+04   -2.15624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20421e+04   -1.73489e+06    3.45777e+05   -1.38911e+06   -1.44735e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10321e+02   -2.11645e+02   -4.38219e+01    3.56835e-06

           Step           Time
      232240000   464480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48289e+03    1.79895e+04    1.24343e+04    1.06240e+03   -2.82747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44206e+03    1.04730e+05    2.81400e+05   -1.72007e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20939e+04   -1.73546e+06    3.47328e+05   -1.38813e+06   -1.44521e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11713e+02   -2.12271e+02    5.10278e+01    3.67506e-06

           Step           Time
      232245000   464490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50548e+03    1.78928e+04    1.24464e+04    1.00074e+03   -2.84537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47514e+03    1.04498e+05    2.81703e+05   -1.72037e+04   -2.15763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20259e+04   -1.73614e+06    3.45510e+05   -1.39063e+06   -1.44251e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10082e+02   -2.12347e+02   -4.47771e+00    3.58675e-06

           Step           Time
      232250000   464500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57824e+03    1.86095e+04    1.24984e+04    1.16330e+03   -2.89063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52050e+03    1.03980e+05    2.79154e+05   -1.71739e+04   -2.15101e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21181e+04   -1.73145e+06    3.46471e+05   -1.38498e+06   -1.43789e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10945e+02   -2.11614e+02   -3.93176e+01    3.71542e-06

           Step           Time
      232255000   464510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76792e+03    1.81757e+04    1.23929e+04    1.03353e+03   -2.82729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52938e+03    1.04013e+05    2.79687e+05   -1.71769e+04   -2.15421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21880e+04   -1.73443e+06    3.46856e+05   -1.38757e+06   -1.43685e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11290e+02   -2.11686e+02   -5.95844e+01    3.57998e-06

           Step           Time
      232260000   464520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62527e+03    1.81146e+04    1.23979e+04    1.04583e+03   -2.87236e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53668e+03    1.04172e+05    2.79582e+05   -1.71453e+04   -2.15399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20006e+04   -1.73453e+06    3.46444e+05   -1.38809e+06   -1.43745e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10920e+02   -2.10909e+02   -1.09697e+02    3.72793e-06

           Step           Time
      232265000   464530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60950e+03    1.81964e+04    1.24854e+04    1.13583e+03   -2.90998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53900e+03    1.04193e+05    2.80720e+05   -1.71735e+04   -2.15524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19880e+04   -1.73446e+06    3.49409e+05   -1.38505e+06   -1.43282e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13581e+02   -2.11602e+02   -8.04274e+01    3.69671e-06

           Step           Time
      232270000   464540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46299e+03    1.81350e+04    1.24357e+04    1.16512e+03   -2.80879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46200e+03    1.04386e+05    2.82474e+05   -1.72004e+04   -2.15627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21946e+04   -1.73357e+06    3.46109e+05   -1.38746e+06   -1.42550e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10619e+02   -2.12264e+02    1.56210e+02    3.56170e-06

           Step           Time
      232275000   464550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46268e+03    1.81617e+04    1.22328e+04    1.10435e+03   -2.84620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50827e+03    1.04098e+05    2.82542e+05   -1.71860e+04   -2.15877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20745e+04   -1.73662e+06    3.47266e+05   -1.38935e+06   -1.42728e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11658e+02   -2.11912e+02    7.14868e+01    3.73139e-06

           Step           Time
      232280000   464560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26646e+03    1.83113e+04    1.22624e+04    1.05191e+03   -2.74462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47883e+03    1.04047e+05    2.81310e+05   -1.72097e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19967e+04   -1.73629e+06    3.47219e+05   -1.38907e+06   -1.42372e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11616e+02   -2.12496e+02    7.30093e+01    3.64360e-06

           Step           Time
      232285000   464570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47395e+03    1.82675e+04    1.21858e+04    1.03829e+03   -2.80513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42962e+03    1.04089e+05    2.81095e+05   -1.71610e+04   -2.15708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21116e+04   -1.73636e+06    3.45249e+05   -1.39111e+06   -1.42322e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09847e+02   -2.11294e+02   -1.74784e+01    3.61817e-06

           Step           Time
      232290000   464580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45163e+03    1.81118e+04    1.25098e+04    1.05403e+03   -2.85496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58173e+03    1.03978e+05    2.80135e+05   -1.71386e+04   -2.15181e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19827e+04   -1.73200e+06    3.45948e+05   -1.38605e+06   -1.41368e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10475e+02   -2.10744e+02    2.66759e+01    3.45492e-06

           Step           Time
      232295000   464590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51497e+03    1.86359e+04    1.22702e+04    1.06114e+03   -2.79270e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53260e+03    1.03938e+05    2.79992e+05   -1.71554e+04   -2.15328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20431e+04   -1.73324e+06    3.48520e+05   -1.38472e+06   -1.41151e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12784e+02   -2.11157e+02   -6.17730e+01    3.69738e-06

           Step           Time
      232300000   464600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58705e+03    1.84368e+04    1.22748e+04    1.08015e+03   -2.83672e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48312e+03    1.03834e+05    2.81724e+05   -1.72087e+04   -2.15812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18677e+04   -1.73688e+06    3.46447e+05   -1.39043e+06   -1.40832e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10923e+02   -2.12469e+02    2.74663e+01    3.75811e-06

           Step           Time
      232305000   464610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54224e+03    1.79966e+04    1.23733e+04    1.01791e+03   -2.87217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53219e+03    1.05224e+05    2.80480e+05   -1.72116e+04   -2.15625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21564e+04   -1.73501e+06    3.46449e+05   -1.38856e+06   -1.40462e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10925e+02   -2.12542e+02   -3.20587e+00    3.55412e-06

           Step           Time
      232310000   464620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59497e+03    1.84898e+04    1.23634e+04    1.01623e+03   -2.82548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39594e+03    1.04099e+05    2.81972e+05   -1.72183e+04   -2.15768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20964e+04   -1.73569e+06    3.47434e+05   -1.38826e+06   -1.40422e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11809e+02   -2.12706e+02    1.92456e+01    3.50287e-06

           Step           Time
      232315000   464630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69112e+03    1.82034e+04    1.22701e+04    1.06287e+03   -2.84356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51215e+03    1.04078e+05    2.82389e+05   -1.71825e+04   -2.15494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20185e+04   -1.73274e+06    3.47291e+05   -1.38545e+06   -1.39985e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11680e+02   -2.11824e+02    3.67291e+01    3.61530e-06

           Step           Time
      232320000   464640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62677e+03    1.81353e+04    1.23971e+04    1.12497e+03   -2.85806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60361e+03    1.03744e+05    2.78545e+05   -1.71940e+04   -2.15425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20792e+04   -1.73604e+06    3.46914e+05   -1.38913e+06   -1.40016e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11342e+02   -2.12107e+02   -4.39439e+01    3.57949e-06

           Step           Time
      232325000   464650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52029e+03    1.84569e+04    1.21930e+04    1.05098e+03   -2.84342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52989e+03    1.03874e+05    2.79841e+05   -1.71915e+04   -2.15390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18991e+04   -1.73457e+06    3.44995e+05   -1.38958e+06   -1.39145e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09620e+02   -2.12045e+02   -3.96803e+01    3.49417e-06

           Step           Time
      232330000   464660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67900e+03    1.78099e+04    1.24124e+04    1.05904e+03   -2.78577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54405e+03    1.04213e+05    2.79715e+05   -1.71457e+04   -2.15534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19794e+04   -1.73586e+06    3.46040e+05   -1.38982e+06   -1.39068e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10558e+02   -2.10919e+02   -1.43760e+02    3.47291e-06

           Step           Time
      232335000   464670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59937e+03    1.81848e+04    1.24793e+04    1.10444e+03   -2.87694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54927e+03    1.03571e+05    2.79606e+05   -1.71671e+04   -2.15473e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19405e+04   -1.73574e+06    3.47921e+05   -1.38782e+06   -1.38452e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12246e+02   -2.11446e+02   -8.67664e+01    3.54188e-06

           Step           Time
      232340000   464680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47361e+03    1.83240e+04    1.20956e+04    1.16406e+03   -2.80362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58404e+03    1.03938e+05    2.82357e+05   -1.71833e+04   -2.15739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19684e+04   -1.73547e+06    3.47024e+05   -1.38844e+06   -1.38480e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11440e+02   -2.11844e+02    6.44013e+01    3.55652e-06

           Step           Time
      232345000   464690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51245e+03    1.82949e+04    1.21857e+04    1.03824e+03   -2.86527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40851e+03    1.03893e+05    2.80515e+05   -1.71643e+04   -2.15566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18981e+04   -1.73594e+06    3.45489e+05   -1.39045e+06   -1.37804e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10063e+02   -2.11377e+02   -7.97871e+01    3.51536e-06

           Step           Time
      232350000   464700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43719e+03    1.81164e+04    1.22380e+04    1.11372e+03   -2.80039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46658e+03    1.04108e+05    2.79255e+05   -1.71587e+04   -2.15302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20249e+04   -1.73422e+06    3.46840e+05   -1.38738e+06   -1.37594e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11275e+02   -2.11238e+02   -8.98449e+01    3.55175e-06

           Step           Time
      232355000   464710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54231e+03    1.84751e+04    1.22619e+04    1.01663e+03   -2.83325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42047e+03    1.04180e+05    2.82429e+05   -1.72256e+04   -2.15659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20390e+04   -1.73428e+06    3.46347e+05   -1.38794e+06   -1.37016e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10833e+02   -2.12888e+02    5.44649e+01    3.47093e-06

           Step           Time
      232360000   464720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47001e+03    1.82425e+04    1.23856e+04    1.12529e+03   -2.91817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52619e+03    1.04341e+05    2.82191e+05   -1.71868e+04   -2.15804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18997e+04   -1.73596e+06    3.46683e+05   -1.38928e+06   -1.36632e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11134e+02   -2.11930e+02    3.37777e+01    3.46403e-06

           Step           Time
      232365000   464730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50903e+03    1.81525e+04    1.23389e+04    1.06886e+03   -2.76296e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64294e+03    1.04051e+05    2.81085e+05   -1.71785e+04   -2.15362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21901e+04   -1.73252e+06    3.44461e+05   -1.38806e+06   -1.35966e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09141e+02   -2.11727e+02    5.63567e+01    3.50782e-06

           Step           Time
      232370000   464740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59959e+03    1.83054e+04    1.25547e+04    1.11338e+03   -2.95466e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47691e+03    1.03941e+05    2.81002e+05   -1.72246e+04   -2.15538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19439e+04   -1.73462e+06    3.47881e+05   -1.38674e+06   -1.36025e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12209e+02   -2.12862e+02    4.76328e+01    3.64473e-06

           Step           Time
      232375000   464750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58972e+03    1.83841e+04    1.23520e+04    1.12813e+03   -2.84843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54136e+03    1.04119e+05    2.81743e+05   -1.72703e+04   -2.15841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19861e+04   -1.73669e+06    3.47481e+05   -1.38921e+06   -1.35476e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11850e+02   -2.13992e+02    8.92977e+01    3.39436e-06

           Step           Time
      232380000   464760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58024e+03    1.79173e+04    1.25112e+04    1.13290e+03   -2.82949e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41004e+03    1.04287e+05    2.80896e+05   -1.71531e+04   -2.15581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20676e+04   -1.73499e+06    3.45148e+05   -1.38984e+06   -1.35162e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09756e+02   -2.11100e+02   -1.19710e+02    3.43487e-06

           Step           Time
      232385000   464770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72910e+03    1.82469e+04    1.23744e+04    1.09353e+03   -2.69752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51005e+03    1.03336e+05    2.78929e+05   -1.71495e+04   -2.15262e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21095e+04   -1.73414e+06    3.45069e+05   -1.38907e+06   -1.34869e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09686e+02   -2.11012e+02   -1.82004e+02    3.48424e-06

           Step           Time
      232390000   464780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49341e+03    1.84049e+04    1.24360e+04    1.11383e+03   -2.94950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46823e+03    1.03514e+05    2.80951e+05   -1.71781e+04   -2.15283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19674e+04   -1.73261e+06    3.46915e+05   -1.38570e+06   -1.34804e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11343e+02   -2.11715e+02    1.60052e+01    3.82670e-06

           Step           Time
      232395000   464790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46800e+03    1.83624e+04    1.24786e+04    1.20881e+03   -2.95874e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38056e+03    1.03679e+05    2.79490e+05   -1.71930e+04   -2.15413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20714e+04   -1.73514e+06    3.47039e+05   -1.38811e+06   -1.34708e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11454e+02   -2.12084e+02   -7.91512e+01    3.51300e-06

           Step           Time
      232400000   464800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64844e+03    1.83055e+04    1.22449e+04    1.09745e+03   -2.91203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47563e+03    1.03700e+05    2.80167e+05   -1.71597e+04   -2.15324e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21202e+04   -1.73356e+06    3.47274e+05   -1.38628e+06   -1.34312e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11665e+02   -2.11263e+02   -9.28570e+01    3.51851e-06

Writing checkpoint, step 232404700 at Fri Dec  1 22:38:07 2023


           Step           Time
      232405000   464810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49835e+03    1.78831e+04    1.22881e+04    1.17505e+03   -2.86161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55233e+03    1.04221e+05    2.81377e+05   -1.71760e+04   -2.15654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19725e+04   -1.73561e+06    3.45088e+05   -1.39052e+06   -1.33916e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09703e+02   -2.11663e+02    1.25033e+01    3.62061e-06

           Step           Time
      232410000   464820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45433e+03    1.81463e+04    1.24084e+04    1.00890e+03   -2.84457e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57876e+03    1.03951e+05    2.80380e+05   -1.71927e+04   -2.15514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18851e+04   -1.73536e+06    3.46941e+05   -1.38842e+06   -1.33430e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11366e+02   -2.12076e+02   -1.21872e+01    3.40801e-06

           Step           Time
      232415000   464830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59476e+03    1.85455e+04    1.21685e+04    1.08926e+03   -2.95044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45317e+03    1.03672e+05    2.78822e+05   -1.72152e+04   -2.15077e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21331e+04   -1.73246e+06    3.46472e+05   -1.38599e+06   -1.33304e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10945e+02   -2.12630e+02   -6.86590e+01    3.53073e-06

           Step           Time
      232420000   464840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46684e+03    1.80752e+04    1.24136e+04    1.08869e+03   -2.85517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53805e+03    1.03645e+05    2.81079e+05   -1.71780e+04   -2.15684e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17752e+04   -1.73679e+06    3.47264e+05   -1.38952e+06   -1.32889e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11656e+02   -2.11714e+02    1.96721e+01    3.45613e-06

           Step           Time
      232425000   464850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55525e+03    1.79617e+04    1.24241e+04    1.08370e+03   -2.92541e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42460e+03    1.03785e+05    2.77232e+05   -1.71453e+04   -2.15134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19510e+04   -1.73500e+06    3.46503e+05   -1.38849e+06   -1.32654e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10973e+02   -2.10910e+02   -1.54878e+02    3.58564e-06

           Step           Time
      232430000   464860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52258e+03    1.81246e+04    1.22813e+04    1.12362e+03   -2.76562e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45267e+03    1.03782e+05    2.80067e+05   -1.72121e+04   -2.15568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18399e+04   -1.73647e+06    3.45580e+05   -1.39089e+06   -1.32435e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10144e+02   -2.12553e+02   -6.32481e+01    3.57090e-06

           Step           Time
      232435000   464870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56612e+03    1.79440e+04    1.24758e+04    1.14279e+03   -2.77704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55080e+03    1.03861e+05    2.79364e+05   -1.71857e+04   -2.15329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20355e+04   -1.73431e+06    3.46135e+05   -1.38817e+06   -1.32198e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10642e+02   -2.11902e+02   -4.41810e+01    3.65238e-06

           Step           Time
      232440000   464880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42974e+03    1.81615e+04    1.22140e+04    1.10201e+03   -2.74588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45643e+03    1.03800e+05    2.82957e+05   -1.71589e+04   -2.15782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21302e+04   -1.73547e+06    3.46623e+05   -1.38885e+06   -1.31722e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11081e+02   -2.11244e+02    8.80631e+01    3.54906e-06

           Step           Time
      232445000   464890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36302e+03    1.82050e+04    1.26031e+04    1.08919e+03   -2.87124e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45978e+03    1.04384e+05    2.80294e+05   -1.71935e+04   -2.15585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19704e+04   -1.73555e+06    3.45016e+05   -1.39053e+06   -1.31365e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09638e+02   -2.12095e+02   -4.28853e-01    3.45755e-06

           Step           Time
      232450000   464900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44073e+03    1.81765e+04    1.24628e+04    1.08479e+03   -2.86039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48827e+03    1.03976e+05    2.80566e+05   -1.72050e+04   -2.15490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19251e+04   -1.73484e+06    3.46967e+05   -1.38787e+06   -1.31318e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11389e+02   -2.12380e+02    6.23400e+01    3.59038e-06

           Step           Time
      232455000   464910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55158e+03    1.80660e+04    1.22769e+04    1.08704e+03   -2.78538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54523e+03    1.03568e+05    2.78173e+05   -1.71162e+04   -2.15285e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21326e+04   -1.73536e+06    3.47112e+05   -1.38824e+06   -1.30869e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11519e+02   -2.10194e+02   -1.73356e+02    3.58608e-06

           Step           Time
      232460000   464920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55246e+03    1.79534e+04    1.24879e+04    1.15653e+03   -2.82546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44882e+03    1.03562e+05    2.81971e+05   -1.71699e+04   -2.15602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19773e+04   -1.73491e+06    3.46627e+05   -1.38828e+06   -1.30349e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11084e+02   -2.11514e+02    2.89693e+01    3.59075e-06

           Step           Time
      232465000   464930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46941e+03    1.82222e+04    1.24248e+04    1.15728e+03   -2.85462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46721e+03    1.03472e+05    2.80891e+05   -1.72225e+04   -2.15788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20010e+04   -1.73786e+06    3.46727e+05   -1.39113e+06   -1.30495e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11174e+02   -2.12811e+02   -1.57176e+01    3.44747e-06

           Step           Time
      232470000   464940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60829e+03    1.81196e+04    1.23038e+04    1.06992e+03   -2.82721e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46744e+03    1.03726e+05    2.79523e+05   -1.72519e+04   -2.15386e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18895e+04   -1.73523e+06    3.46368e+05   -1.38886e+06   -1.30014e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10852e+02   -2.13537e+02    1.07783e+01    3.60192e-06

           Step           Time
      232475000   464950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59376e+03    1.80031e+04    1.22777e+04    1.09500e+03   -2.78035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42521e+03    1.04195e+05    2.79932e+05   -1.71853e+04   -2.15346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22151e+04   -1.73369e+06    3.45173e+05   -1.38852e+06   -1.29496e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09779e+02   -2.11893e+02   -7.03436e+01    3.66139e-06

           Step           Time
      232480000   464960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32904e+03    1.84591e+04    1.24875e+04    1.06597e+03   -2.82712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66130e+03    1.04246e+05    2.81770e+05   -1.71880e+04   -2.15681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19808e+04   -1.73483e+06    3.46974e+05   -1.38786e+06   -1.28982e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11395e+02   -2.11960e+02    1.01326e+02    3.50479e-06

           Step           Time
      232485000   464970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61512e+03    1.78238e+04    1.25091e+04    1.11394e+03   -2.73732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58260e+03    1.03936e+05    2.81291e+05   -1.71982e+04   -2.15714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19422e+04   -1.73626e+06    3.46074e+05   -1.39019e+06   -1.29186e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10588e+02   -2.12211e+02   -2.69454e+01    3.42657e-06

           Step           Time
      232490000   464980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70422e+03    1.85008e+04    1.24100e+04    1.04494e+03   -2.84520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37533e+03    1.03805e+05    2.81262e+05   -1.71764e+04   -2.15756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20329e+04   -1.73645e+06    3.46151e+05   -1.39030e+06   -1.28154e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10657e+02   -2.11675e+02   -6.20568e+01    3.49319e-06

           Step           Time
      232495000   464990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73914e+03    1.81393e+04    1.21946e+04    1.14883e+03   -2.86166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45745e+03    1.03793e+05    2.78411e+05   -1.72034e+04   -2.15202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19627e+04   -1.73424e+06    3.46614e+05   -1.38763e+06   -1.28574e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11072e+02   -2.12340e+02   -9.14358e+01    3.51850e-06

           Step           Time
      232500000   465000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40786e+03    1.81344e+04    1.23580e+04    1.08756e+03   -2.82327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46980e+03    1.04244e+05    2.83259e+05   -1.71893e+04   -2.15903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19712e+04   -1.73611e+06    3.46454e+05   -1.38966e+06   -1.28142e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10929e+02   -2.11992e+02    1.53561e+02    3.63312e-06

           Step           Time
      232505000   465010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64265e+03    1.79596e+04    1.21373e+04    1.00756e+03   -2.80651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48181e+03    1.03941e+05    2.79647e+05   -1.72245e+04   -2.15356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21440e+04   -1.73463e+06    3.47016e+05   -1.38762e+06   -1.27458e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11433e+02   -2.12859e+02   -4.73141e+01    3.58289e-06

           Step           Time
      232510000   465020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64832e+03    1.80607e+04    1.24589e+04    1.06160e+03   -2.86941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58894e+03    1.03936e+05    2.80229e+05   -1.71752e+04   -2.15310e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21825e+04   -1.73298e+06    3.45649e+05   -1.38733e+06   -1.27146e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10207e+02   -2.11645e+02   -1.47727e+01    3.73417e-06

           Step           Time
      232515000   465030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56378e+03    1.82406e+04    1.22137e+04    1.11296e+03   -2.75887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63551e+03    1.03469e+05    2.81185e+05   -1.72153e+04   -2.15442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19050e+04   -1.73407e+06    3.46643e+05   -1.38743e+06   -1.26785e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11098e+02   -2.12631e+02    1.04266e+02    3.55756e-06

           Step           Time
      232520000   465040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40608e+03    1.79772e+04    1.23866e+04    1.10377e+03   -2.89271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51582e+03    1.04264e+05    2.80449e+05   -1.71860e+04   -2.15431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20294e+04   -1.73426e+06    3.45346e+05   -1.38891e+06   -1.26142e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09934e+02   -2.11911e+02   -1.23738e+00    3.54025e-06

           Step           Time
      232525000   465050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36968e+03    1.84539e+04    1.22561e+04    1.14794e+03   -2.79371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54247e+03    1.04039e+05    2.81076e+05   -1.72005e+04   -2.15531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21456e+04   -1.73427e+06    3.45209e+05   -1.38906e+06   -1.26034e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09812e+02   -2.12269e+02    2.25641e+01    3.61208e-06

           Step           Time
      232530000   465060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59678e+03    1.82084e+04    1.24081e+04    1.11365e+03   -2.81558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54616e+03    1.03940e+05    2.79858e+05   -1.71817e+04   -2.15422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22090e+04   -1.73434e+06    3.47223e+05   -1.38711e+06   -1.25745e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11620e+02   -2.11806e+02   -4.85498e+01    3.62486e-06

           Step           Time
      232535000   465070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63411e+03    1.83349e+04    1.22610e+04    1.00334e+03   -2.81154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42534e+03    1.03937e+05    2.79690e+05   -1.71850e+04   -2.15523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19902e+04   -1.73595e+06    3.46211e+05   -1.38974e+06   -1.25118e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10711e+02   -2.11885e+02   -2.68216e+01    3.47331e-06

           Step           Time
      232540000   465080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43425e+03    1.83031e+04    1.22847e+04    1.10122e+03   -2.90645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53226e+03    1.04258e+05    2.80084e+05   -1.71833e+04   -2.15352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19671e+04   -1.73365e+06    3.44418e+05   -1.38923e+06   -1.25072e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09102e+02   -2.11844e+02    1.45781e+01    3.59981e-06

           Step           Time
      232545000   465090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47721e+03    1.83026e+04    1.22611e+04    1.08083e+03   -2.77801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46495e+03    1.04101e+05    2.82570e+05   -1.71947e+04   -2.15804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19509e+04   -1.73581e+06    3.45548e+05   -1.39026e+06   -1.24621e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10116e+02   -2.12123e+02    6.05738e+01    3.71734e-06

           Step           Time
      232550000   465100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38198e+03    1.79669e+04    1.22529e+04    1.10814e+03   -2.65167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66278e+03    1.04180e+05    2.81942e+05   -1.71949e+04   -2.15720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21272e+04   -1.73542e+06    3.47331e+05   -1.38809e+06   -1.24514e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11716e+02   -2.12129e+02    4.98282e+01    3.67653e-06

           Step           Time
      232555000   465110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82610e+03    1.81643e+04    1.22878e+04    1.07976e+03   -2.90368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48821e+03    1.03581e+05    2.79022e+05   -1.71961e+04   -2.15424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18603e+04   -1.73603e+06    3.47414e+05   -1.38861e+06   -1.24456e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11790e+02   -2.12159e+02   -7.68379e+01    3.64938e-06

           Step           Time
      232560000   465120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51713e+03    1.87579e+04    1.23455e+04    1.10983e+03   -2.75746e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52408e+03    1.03743e+05    2.78194e+05   -1.71597e+04   -2.14916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20269e+04   -1.73086e+06    3.45347e+05   -1.38551e+06   -1.23479e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09935e+02   -2.11264e+02   -6.96769e+01    3.84748e-06

           Step           Time
      232565000   465130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30575e+03    1.81392e+04    1.23644e+04    1.06086e+03   -2.85414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56179e+03    1.03988e+05    2.81926e+05   -1.72238e+04   -2.15762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19876e+04   -1.73637e+06    3.45808e+05   -1.39056e+06   -1.23675e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10350e+02   -2.12843e+02    1.16165e+02    3.60812e-06

           Step           Time
      232570000   465140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67227e+03    1.81605e+04    1.24072e+04    1.16846e+03   -2.90967e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47442e+03    1.04271e+05    2.85640e+05   -1.72201e+04   -2.16249e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20868e+04   -1.73674e+06    3.45886e+05   -1.39086e+06   -1.23145e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10420e+02   -2.12751e+02    1.63004e+02    3.77986e-06

           Step           Time
      232575000   465150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62607e+03    1.82115e+04    1.24527e+04    1.06329e+03   -2.87687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.31754e+03    1.03726e+05    2.81077e+05   -1.71594e+04   -2.15343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21577e+04   -1.73284e+06    3.46564e+05   -1.38627e+06   -1.23115e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11027e+02   -2.11255e+02   -2.77596e+01    3.70949e-06

           Step           Time
      232580000   465160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59036e+03    1.82018e+04    1.22987e+04    1.03444e+03   -2.83529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37964e+03    1.04377e+05    2.80060e+05   -1.71668e+04   -2.15493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21307e+04   -1.73486e+06    3.47042e+05   -1.38782e+06   -1.22832e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11457e+02   -2.11437e+02   -9.64619e+01    3.58377e-06

           Step           Time
      232585000   465170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51852e+03    1.85647e+04    1.22040e+04    9.97777e+02   -2.85262e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49170e+03    1.03791e+05    2.82085e+05   -1.72037e+04   -2.15727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20082e+04   -1.73566e+06    3.46151e+05   -1.38951e+06   -1.22176e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10657e+02   -2.12348e+02    1.53603e+01    3.62872e-06

           Step           Time
      232590000   465180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38862e+03    1.82423e+04    1.25326e+04    1.06799e+03   -2.85791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36443e+03    1.04036e+05    2.80455e+05   -1.71886e+04   -2.15414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20589e+04   -1.73404e+06    3.46267e+05   -1.38778e+06   -1.22116e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10762e+02   -2.11975e+02   -4.22329e+01    3.61886e-06

           Step           Time
      232595000   465190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51096e+03    1.82482e+04    1.24807e+04    1.04772e+03   -2.82319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56244e+03    1.03604e+05    2.80198e+05   -1.71839e+04   -2.15360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21643e+04   -1.73380e+06    3.45061e+05   -1.38873e+06   -1.21582e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09679e+02   -2.11860e+02   -2.37144e+01    3.63861e-06

           Step           Time
      232600000   465200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62602e+03    1.82871e+04    1.23489e+04    1.05314e+03   -2.77331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49241e+03    1.03853e+05    2.79902e+05   -1.72091e+04   -2.15577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19710e+04   -1.73621e+06    3.47076e+05   -1.38914e+06   -1.21214e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11487e+02   -2.12480e+02   -1.15463e+01    3.52363e-06

           Step           Time
      232605000   465210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41988e+03    1.83404e+04    1.25333e+04    1.14849e+03   -2.83981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52439e+03    1.03826e+05    2.79875e+05   -1.71737e+04   -2.15274e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21322e+04   -1.73295e+06    3.48192e+05   -1.38476e+06   -1.21226e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12488e+02   -2.11608e+02   -1.70178e+01    3.47469e-06

           Step           Time
      232610000   465220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83019e+03    1.84011e+04    1.22417e+04    1.03093e+03   -2.83892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51921e+03    1.03631e+05    2.82664e+05   -1.72060e+04   -2.15764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18442e+04   -1.73552e+06    3.46919e+05   -1.38860e+06   -1.20660e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11346e+02   -2.12404e+02    6.64250e+01    3.48766e-06

           Step           Time
      232615000   465230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27839e+03    1.82678e+04    1.23246e+04    1.03787e+03   -2.85303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44146e+03    1.03907e+05    2.81286e+05   -1.72113e+04   -2.15666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20043e+04   -1.73617e+06    3.47199e+05   -1.38898e+06   -1.20756e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11597e+02   -2.12534e+02    2.11077e+01    3.50122e-06

           Step           Time
      232620000   465240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45050e+03    1.86271e+04    1.22742e+04    1.11354e+03   -2.90330e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48883e+03    1.03958e+05    2.81239e+05   -1.72171e+04   -2.15738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21458e+04   -1.73621e+06    3.46263e+05   -1.38994e+06   -1.19848e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10758e+02   -2.12677e+02    5.39298e+01    3.55629e-06

           Step           Time
      232625000   465250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60932e+03    1.81301e+04    1.23461e+04    1.03471e+03   -2.80547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54249e+03    1.03458e+05    2.81655e+05   -1.72088e+04   -2.15675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19875e+04   -1.73600e+06    3.47212e+05   -1.38879e+06   -1.19716e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11610e+02   -2.12473e+02    2.31854e+01    3.77416e-06

           Step           Time
      232630000   465260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70464e+03    1.80042e+04    1.23873e+04    1.07803e+03   -2.76623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58671e+03    1.03803e+05    2.80026e+05   -1.71616e+04   -2.15134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21413e+04   -1.73154e+06    3.45513e+05   -1.38603e+06   -1.19364e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10084e+02   -2.11311e+02    3.13978e+01    3.58436e-06

           Step           Time
      232635000   465270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71479e+03    1.79461e+04    1.24072e+04    1.14161e+03   -2.82486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60112e+03    1.03828e+05    2.80478e+05   -1.71704e+04   -2.15620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21059e+04   -1.73597e+06    3.47773e+05   -1.38820e+06   -1.18958e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12113e+02   -2.11526e+02   -4.42556e+01    3.68141e-06

           Step           Time
      232640000   465280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45071e+03    1.84717e+04    1.20927e+04    1.10709e+03   -2.72394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34486e+03    1.03903e+05    2.78632e+05   -1.71868e+04   -2.15284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21659e+04   -1.73458e+06    3.47588e+05   -1.38699e+06   -1.18849e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11947e+02   -2.11930e+02   -9.35005e+01    3.56779e-06

           Step           Time
      232645000   465290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57647e+03    1.84662e+04    1.24557e+04    1.12003e+03   -3.02113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51933e+03    1.04172e+05    2.81652e+05   -1.71894e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19840e+04   -1.73347e+06    3.47382e+05   -1.38609e+06   -1.18465e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11762e+02   -2.11995e+02    6.79390e+01    3.78434e-06

           Step           Time
      232650000   465300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34925e+03    1.87318e+04    1.23150e+04    1.14042e+03   -2.90668e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44181e+03    1.03963e+05    2.81037e+05   -1.72020e+04   -2.15623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19535e+04   -1.73541e+06    3.45933e+05   -1.38948e+06   -1.18038e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10461e+02   -2.12304e+02    2.09228e+01    3.39677e-06

           Step           Time
      232655000   465310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54276e+03    1.84770e+04    1.22300e+04    1.07174e+03   -2.81581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49923e+03    1.03947e+05    2.80135e+05   -1.71862e+04   -2.15356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19824e+04   -1.73368e+06    3.44829e+05   -1.38885e+06   -1.17869e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09471e+02   -2.11914e+02   -8.73501e-01    3.69193e-06

           Step           Time
      232660000   465320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41585e+03    1.87370e+04    1.22860e+04    1.13284e+03   -2.87182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53766e+03    1.03850e+05    2.79118e+05   -1.71531e+04   -2.15026e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21164e+04   -1.73109e+06    3.45556e+05   -1.38553e+06   -1.17810e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10123e+02   -2.11101e+02   -4.92704e+00    3.48592e-06

           Step           Time
      232665000   465330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23666e+03    1.84530e+04    1.22699e+04    1.07664e+03   -2.80259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52640e+03    1.04455e+05    2.82116e+05   -1.71504e+04   -2.15942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19637e+04   -1.73727e+06    3.47071e+05   -1.39020e+06   -1.17709e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11483e+02   -2.11034e+02    5.69522e+01    3.59213e-06

           Step           Time
      232670000   465340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66951e+03    1.82415e+04    1.23194e+04    1.04650e+03   -2.84424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43018e+03    1.03881e+05    2.80463e+05   -1.72185e+04   -2.15611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19648e+04   -1.73616e+06    3.47585e+05   -1.38857e+06   -1.17380e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11944e+02   -2.12712e+02    3.33601e+01    3.46082e-06

           Step           Time
      232675000   465350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47010e+03    1.80818e+04    1.23824e+04    1.19091e+03   -2.78732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48439e+03    1.03940e+05    2.77673e+05   -1.71832e+04   -2.15089e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19906e+04   -1.73365e+06    3.46491e+05   -1.38716e+06   -1.17199e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10962e+02   -2.11840e+02   -1.12564e+02    3.51143e-06

           Step           Time
      232680000   465360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76141e+03    1.79306e+04    1.24865e+04    1.09616e+03   -2.76082e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49171e+03    1.03966e+05    2.80935e+05   -1.71881e+04   -2.15539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20776e+04   -1.73459e+06    3.46948e+05   -1.38765e+06   -1.16992e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11372e+02   -2.11962e+02   -4.47684e+01    3.66147e-06

           Step           Time
      232685000   465370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47909e+03    1.82368e+04    1.23503e+04    1.10570e+03   -2.91190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55529e+03    1.04166e+05    2.78660e+05   -1.71814e+04   -2.15406e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19599e+04   -1.73564e+06    3.45668e+05   -1.38997e+06   -1.16574e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10224e+02   -2.11797e+02   -1.10277e+02    3.48307e-06

           Step           Time
      232690000   465380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40262e+03    1.81026e+04    1.23172e+04    1.07981e+03   -2.82190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48318e+03    1.03537e+05    2.82234e+05   -1.72519e+04   -2.15758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21399e+04   -1.73635e+06    3.48031e+05   -1.38832e+06   -1.16065e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12344e+02   -2.13538e+02    1.12516e+02    3.69824e-06

           Step           Time
      232695000   465390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68375e+03    1.87898e+04    1.24052e+04    1.12304e+03   -2.80331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47764e+03    1.03665e+05    2.80587e+05   -1.71708e+04   -2.15255e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22056e+04   -1.73159e+06    3.46947e+05   -1.38464e+06   -1.15550e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11371e+02   -2.11535e+02    2.57117e+01    3.59042e-06

           Step           Time
      232700000   465400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76013e+03    1.85164e+04    1.24211e+04    1.09693e+03   -2.86513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48067e+03    1.04280e+05    2.80932e+05   -1.71957e+04   -2.15494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19511e+04   -1.73356e+06    3.48358e+05   -1.38520e+06   -1.15388e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12638e+02   -2.12150e+02    7.22018e+00    3.63624e-06

           Step           Time
      232705000   465410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63497e+03    1.81930e+04    1.25199e+04    1.01792e+03   -2.84678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45436e+03    1.04295e+05    2.80282e+05   -1.71689e+04   -2.15329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20479e+04   -1.73286e+06    3.46580e+05   -1.38628e+06   -1.15565e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11042e+02   -2.11489e+02   -5.79754e+01    3.57242e-06

           Step           Time
      232710000   465420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47870e+03    1.81634e+04    1.23036e+04    1.00163e+03   -2.93951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44045e+03    1.03998e+05    2.80129e+05   -1.71998e+04   -2.15569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20095e+04   -1.73631e+06    3.46016e+05   -1.39029e+06   -1.14872e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10536e+02   -2.12251e+02   -5.59181e+01    3.60612e-06

           Step           Time
      232715000   465430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56397e+03    1.80681e+04    1.25283e+04    1.12027e+03   -2.88695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49403e+03    1.04298e+05    2.79883e+05   -1.71601e+04   -2.15411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20880e+04   -1.73411e+06    3.47338e+05   -1.38677e+06   -1.14394e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11722e+02   -2.11272e+02   -3.51865e+01    3.59293e-06

           Step           Time
      232720000   465440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28221e+03    1.83791e+04    1.25451e+04    1.08572e+03   -2.92819e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55172e+03    1.04178e+05    2.80972e+05   -1.71791e+04   -2.15552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19856e+04   -1.73465e+06    3.46119e+05   -1.38853e+06   -1.14578e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10628e+02   -2.11741e+02    1.67572e+01    3.42198e-06

           Step           Time
      232725000   465450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60154e+03    1.82558e+04    1.22292e+04    1.04786e+03   -2.85639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53319e+03    1.03995e+05    2.83063e+05   -1.72538e+04   -2.15723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19251e+04   -1.73469e+06    3.48534e+05   -1.38616e+06   -1.14151e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12795e+02   -2.13583e+02    1.85397e+02    3.63263e-06

           Step           Time
      232730000   465460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68557e+03    1.79077e+04    1.23393e+04    1.04359e+03   -2.89015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43759e+03    1.03963e+05    2.80479e+05   -1.71853e+04   -2.15580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20184e+04   -1.73600e+06    3.46234e+05   -1.38976e+06   -1.14086e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10732e+02   -2.11892e+02   -1.11281e+02    3.51109e-06

           Step           Time
      232735000   465470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.22267e+03    1.82591e+04    1.23967e+04    1.10301e+03   -2.82691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49656e+03    1.04192e+05    2.80846e+05   -1.72078e+04   -2.15649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18454e+04   -1.73616e+06    3.46913e+05   -1.38925e+06   -1.14058e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11341e+02   -2.12448e+02    7.95012e+01    3.52196e-06

           Step           Time
      232740000   465480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37981e+03    1.80782e+04    1.21965e+04    1.07501e+03   -2.81655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49016e+03    1.04045e+05    2.79540e+05   -1.71904e+04   -2.15579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20044e+04   -1.73699e+06    3.47079e+05   -1.38991e+06   -1.13594e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11490e+02   -2.12018e+02   -7.70732e+01    3.59968e-06

           Step           Time
      232745000   465490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36906e+03    1.86067e+04    1.23656e+04    1.02024e+03   -2.86278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54353e+03    1.04058e+05    2.80950e+05   -1.71620e+04   -2.15393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20339e+04   -1.73301e+06    3.46266e+05   -1.38675e+06   -1.12570e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10760e+02   -2.11320e+02    6.67656e+01    3.56168e-06

           Step           Time
      232750000   465500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46520e+03    1.81597e+04    1.24602e+04    1.10239e+03   -2.86064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44453e+03    1.04644e+05    2.79030e+05   -1.71598e+04   -2.15412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21057e+04   -1.73473e+06    3.45692e+05   -1.38904e+06   -1.12539e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10245e+02   -2.11266e+02   -6.40888e+01    3.48730e-06

           Step           Time
      232755000   465510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47681e+03    1.83244e+04    1.22620e+04    1.09130e+03   -2.87170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50133e+03    1.03957e+05    2.80077e+05   -1.71859e+04   -2.15453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19791e+04   -1.73492e+06    3.45361e+05   -1.38956e+06   -1.12445e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09948e+02   -2.11908e+02   -3.00053e+01    3.45533e-06

           Step           Time
      232760000   465520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88255e+03    1.81923e+04    1.22745e+04    1.02633e+03   -2.78281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46558e+03    1.03615e+05    2.81501e+05   -1.72293e+04   -2.15692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20503e+04   -1.73592e+06    3.46167e+05   -1.38975e+06   -1.12035e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10672e+02   -2.12978e+02   -1.15817e+01    3.60510e-06

           Step           Time
      232765000   465530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.10896e+03    1.82292e+04    1.23378e+04    1.11711e+03   -2.92461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57833e+03    1.04304e+05    2.82496e+05   -1.71933e+04   -2.16033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19893e+04   -1.73829e+06    3.46178e+05   -1.39211e+06   -1.12008e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10682e+02   -2.12091e+02    4.99970e+01    3.43726e-06

           Step           Time
      232770000   465540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39744e+03    1.81323e+04    1.23105e+04    1.13262e+03   -2.86260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67287e+03    1.04314e+05    2.81844e+05   -1.72241e+04   -2.15845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20454e+04   -1.73668e+06    3.46954e+05   -1.38973e+06   -1.11398e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11378e+02   -2.12849e+02    1.40449e+02    3.64178e-06

           Step           Time
      232775000   465550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64136e+03    1.81611e+04    1.24952e+04    1.01054e+03   -2.90519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44363e+03    1.03543e+05    2.81240e+05   -1.72159e+04   -2.16005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20907e+04   -1.73954e+06    3.46606e+05   -1.39294e+06   -1.11152e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11066e+02   -2.12647e+02   -1.09305e+02    3.61822e-06

           Step           Time
      232780000   465560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33495e+03    1.83678e+04    1.24377e+04    1.06603e+03   -2.91217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45443e+03    1.04289e+05    2.79312e+05   -1.71638e+04   -2.15408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20295e+04   -1.73486e+06    3.44965e+05   -1.38990e+06   -1.11040e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09592e+02   -2.11365e+02   -7.63487e+01    3.56900e-06

           Step           Time
      232785000   465570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37359e+03    1.79567e+04    1.22219e+04    1.12619e+03   -2.86372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57054e+03    1.04676e+05    2.80014e+05   -1.71771e+04   -2.15494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20458e+04   -1.73500e+06    3.45721e+05   -1.38927e+06   -1.10628e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10271e+02   -2.11691e+02    6.19415e+01    3.60905e-06

           Step           Time
      232790000   465580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56703e+03    1.80295e+04    1.22778e+04    1.05476e+03   -2.80129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61686e+03    1.04448e+05    2.79244e+05   -1.71726e+04   -2.15488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20718e+04   -1.73554e+06    3.45479e+05   -1.39007e+06   -1.10082e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10054e+02   -2.11581e+02   -1.11737e+02    3.58681e-06

           Step           Time
      232795000   465590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50530e+03    1.78308e+04    1.23387e+04    1.05106e+03   -2.88178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41184e+03    1.04078e+05    2.81485e+05   -1.71870e+04   -2.15892e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17805e+04   -1.73850e+06    3.46174e+05   -1.39233e+06   -1.10230e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10678e+02   -2.11934e+02   -4.44297e+01    3.54923e-06

           Step           Time
      232800000   465600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51813e+03    1.82192e+04    1.24176e+04    1.07404e+03   -2.76263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49001e+03    1.03742e+05    2.82068e+05   -1.72048e+04   -2.15898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20048e+04   -1.73741e+06    3.46989e+05   -1.39043e+06   -1.09440e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11409e+02   -2.12374e+02    2.84173e+01    3.52046e-06

           Step           Time
      232805000   465610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62768e+03    1.86711e+04    1.23244e+04    1.09397e+03   -2.83002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37798e+03    1.03902e+05    2.78578e+05   -1.71884e+04   -2.15194e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21597e+04   -1.73322e+06    3.46613e+05   -1.38661e+06   -1.09105e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11072e+02   -2.11969e+02   -4.70003e+01    3.68064e-06

           Step           Time
      232810000   465620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42956e+03    1.82355e+04    1.24019e+04    1.07348e+03   -2.90114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55573e+03    1.03837e+05    2.77759e+05   -1.71659e+04   -2.15011e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21613e+04   -1.73273e+06    3.46203e+05   -1.38652e+06   -1.08875e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10704e+02   -2.11416e+02   -1.28220e+02    3.65657e-06

           Step           Time
      232815000   465630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63801e+03    1.78872e+04    1.23821e+04    1.06502e+03   -2.85579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50877e+03    1.04070e+05    2.83308e+05   -1.72271e+04   -2.15993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20753e+04   -1.73708e+06    3.47514e+05   -1.38956e+06   -1.08665e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11880e+02   -2.12923e+02    1.19320e+02    3.58545e-06

           Step           Time
      232820000   465640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46012e+03    1.80667e+04    1.24405e+04    1.09697e+03   -2.89683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51945e+03    1.03920e+05    2.78713e+05   -1.71762e+04   -2.15529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19587e+04   -1.73719e+06    3.46967e+05   -1.39022e+06   -1.08636e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11390e+02   -2.11670e+02   -7.51035e+01    3.70820e-06

           Step           Time
      232825000   465650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68584e+03    1.82666e+04    1.24194e+04    1.02428e+03   -2.83856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55785e+03    1.04340e+05    2.78762e+05   -1.71496e+04   -2.15261e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20830e+04   -1.73346e+06    3.47793e+05   -1.38567e+06   -1.07969e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12130e+02   -2.11016e+02   -6.81825e+01    3.69125e-06

           Step           Time
      232830000   465660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42893e+03    1.81263e+04    1.23361e+04    1.06961e+03   -2.78285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55050e+03    1.04264e+05    2.83727e+05   -1.71305e+04   -2.15686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19846e+04   -1.73329e+06    3.47135e+05   -1.38616e+06   -1.07769e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11540e+02   -2.10546e+02    1.13555e+02    3.73682e-06

           Step           Time
      232835000   465670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56317e+03    1.77033e+04    1.25065e+04    1.12087e+03   -2.91513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46295e+03    1.03907e+05    2.81703e+05   -1.72191e+04   -2.15745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21339e+04   -1.73649e+06    3.46083e+05   -1.39040e+06   -1.07406e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10596e+02   -2.12726e+02    8.90776e+00    3.53394e-06

           Step           Time
      232840000   465680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58432e+03    1.81808e+04    1.22161e+04    1.09892e+03   -2.90645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47436e+03    1.04192e+05    2.80465e+05   -1.72109e+04   -2.15612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19821e+04   -1.73604e+06    3.47168e+05   -1.38887e+06   -1.07051e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11570e+02   -2.12523e+02   -1.90449e+01    3.65245e-06

           Step           Time
      232845000   465690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63600e+03    1.82224e+04    1.21874e+04    1.13114e+03   -2.76947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45064e+03    1.04198e+05    2.81166e+05   -1.71632e+04   -2.15642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20364e+04   -1.73533e+06    3.45777e+05   -1.38955e+06   -1.06166e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10321e+02   -2.11348e+02   -6.28266e+01    3.46679e-06

           Step           Time
      232850000   465700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53177e+03    1.83743e+04    1.23134e+04    1.05396e+03   -2.94076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64746e+03    1.04039e+05    2.80353e+05   -1.71858e+04   -2.15563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21280e+04   -1.73531e+06    3.46756e+05   -1.38856e+06   -1.06025e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11200e+02   -2.11907e+02    5.87937e+01    3.70605e-06

           Step           Time
      232855000   465710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35632e+03    1.84267e+04    1.24585e+04    1.03850e+03   -3.00011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44812e+03    1.04120e+05    2.81807e+05   -1.71942e+04   -2.15687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18228e+04   -1.73559e+06    3.45830e+05   -1.38976e+06   -1.05528e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10369e+02   -2.12112e+02   -2.68609e+00    3.59469e-06

           Step           Time
      232860000   465720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65299e+03    1.82975e+04    1.22869e+04    1.12286e+03   -2.82643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49776e+03    1.04288e+05    2.82628e+05   -1.71747e+04   -2.15725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20157e+04   -1.73446e+06    3.46037e+05   -1.38842e+06   -1.04975e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10555e+02   -2.11633e+02    8.31761e+01    3.58697e-06

           Step           Time
      232865000   465730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53577e+03    1.83046e+04    1.24443e+04    1.13979e+03   -2.83101e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50835e+03    1.04509e+05    2.79437e+05   -1.71878e+04   -2.15298e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21827e+04   -1.73294e+06    3.46917e+05   -1.38602e+06   -1.04876e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11344e+02   -2.11954e+02    1.94709e+01    3.62988e-06

           Step           Time
      232870000   465740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56758e+03    1.81309e+04    1.22838e+04    1.03145e+03   -2.77567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44465e+03    1.03999e+05    2.81888e+05   -1.71890e+04   -2.15667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20220e+04   -1.73527e+06    3.46306e+05   -1.38896e+06   -1.05256e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10796e+02   -2.11984e+02   -3.10029e+01    3.68398e-06

           Step           Time
      232875000   465750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63430e+03    1.76755e+04    1.22796e+04    1.03369e+03   -2.71503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39640e+03    1.04442e+05    2.80702e+05   -1.71792e+04   -2.15453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20619e+04   -1.73420e+06    3.45330e+05   -1.38887e+06   -1.04646e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09920e+02   -2.11744e+02   -4.97305e+01    3.51554e-06

           Step           Time
      232880000   465760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43901e+03    1.83046e+04    1.22394e+04    1.07259e+03   -2.91518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37816e+03    1.04226e+05    2.81795e+05   -1.71744e+04   -2.15723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20044e+04   -1.73586e+06    3.44536e+05   -1.39133e+06   -1.03868e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09208e+02   -2.11624e+02   -3.02797e+01    3.48685e-06

           Step           Time
      232885000   465770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85444e+03    1.82513e+04    1.24110e+04    1.06831e+03   -2.85606e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39260e+03    1.03784e+05    2.80562e+05   -1.71706e+04   -2.15381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21780e+04   -1.73334e+06    3.46006e+05   -1.38733e+06   -1.04131e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10527e+02   -2.11532e+02   -3.74524e+01    3.45229e-06

           Step           Time
      232890000   465780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65556e+03    1.81498e+04    1.20673e+04    1.06055e+03   -2.72947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44061e+03    1.04030e+05    2.81064e+05   -1.72216e+04   -2.15672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20244e+04   -1.73618e+06    3.47707e+05   -1.38848e+06   -1.03598e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12054e+02   -2.12789e+02   -1.66415e+01    3.61786e-06

           Step           Time
      232895000   465790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41228e+03    1.82186e+04    1.23021e+04    1.01219e+03   -2.89011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50829e+03    1.04266e+05    2.81570e+05   -1.72237e+04   -2.15739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19680e+04   -1.73625e+06    3.47192e+05   -1.38906e+06   -1.03658e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11592e+02   -2.12839e+02    7.59036e+01    3.61957e-06

           Step           Time
      232900000   465800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38972e+03    1.79588e+04    1.22913e+04    1.14000e+03   -2.86436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54773e+03    1.04281e+05    2.81441e+05   -1.72142e+04   -2.15836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19203e+04   -1.73747e+06    3.47116e+05   -1.39035e+06   -1.03124e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11524e+02   -2.12607e+02    3.68377e+01    3.73595e-06

           Step           Time
      232905000   465810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24815e+03    1.83743e+04    1.24077e+04    1.06256e+03   -2.90176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45347e+03    1.04371e+05    2.80069e+05   -1.71961e+04   -2.15597e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20862e+04   -1.73599e+06    3.45724e+05   -1.39027e+06   -1.02686e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10274e+02   -2.12159e+02   -3.19873e+01    3.66318e-06

           Step           Time
      232910000   465820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40857e+03    1.81795e+04    1.23256e+04    1.15959e+03   -2.86400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47981e+03    1.04980e+05    2.80775e+05   -1.72057e+04   -2.15545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19770e+04   -1.73423e+06    3.46956e+05   -1.38728e+06   -1.02346e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11380e+02   -2.12396e+02    7.68882e+01    3.68092e-06

           Step           Time
      232915000   465830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49235e+03    1.82748e+04    1.23394e+04    1.11344e+03   -3.06702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55359e+03    1.04117e+05    2.81036e+05   -1.71910e+04   -2.15668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17872e+04   -1.73623e+06    3.46432e+05   -1.38980e+06   -1.02101e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10910e+02   -2.12033e+02   -8.53825e+00    3.73432e-06

           Step           Time
      232920000   465840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27279e+03    1.87000e+04    1.24469e+04    1.01328e+03   -2.88930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44944e+03    1.03744e+05    2.80583e+05   -1.72137e+04   -2.15593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20062e+04   -1.73581e+06    3.48774e+05   -1.38704e+06   -1.01966e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13011e+02   -2.12593e+02   -1.34002e+01    3.58988e-06

           Step           Time
      232925000   465850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56186e+03    1.84565e+04    1.23979e+04    1.14835e+03   -2.83117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51076e+03    1.04071e+05    2.78406e+05   -1.71851e+04   -2.15211e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20234e+04   -1.73355e+06    3.48038e+05   -1.38551e+06   -1.01735e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12350e+02   -2.11887e+02   -6.00062e+01    3.46635e-06

           Step           Time
      232930000   465860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34879e+03    1.79106e+04    1.22819e+04    1.12306e+03   -2.93087e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56843e+03    1.04610e+05    2.77687e+05   -1.71571e+04   -2.15215e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18652e+04   -1.73484e+06    3.47496e+05   -1.38734e+06   -1.01829e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11864e+02   -2.11198e+02   -8.47116e+01    3.64206e-06

           Step           Time
      232935000   465870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59423e+03    1.86233e+04    1.23324e+04    1.02898e+03   -2.81652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42822e+03    1.04332e+05    2.79454e+05   -1.71994e+04   -2.15210e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20587e+04   -1.73227e+06    3.46602e+05   -1.38567e+06   -1.00935e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11062e+02   -2.12241e+02   -2.13828e+01    3.59966e-06

           Step           Time
      232940000   465880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44211e+03    1.85247e+04    1.23845e+04    1.02529e+03   -2.89120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59156e+03    1.04269e+05    2.81315e+05   -1.72483e+04   -2.15639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18857e+04   -1.73509e+06    3.47233e+05   -1.38786e+06   -1.00490e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11628e+02   -2.13447e+02    1.06790e+02    3.45226e-06

           Step           Time
      232945000   465890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37147e+03    1.79661e+04    1.21383e+04    1.10452e+03   -2.81148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68556e+03    1.03778e+05    2.79048e+05   -1.71975e+04   -2.15679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19104e+04   -1.73880e+06    3.45188e+05   -1.39361e+06   -1.00716e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09793e+02   -2.12194e+02   -7.27529e+01    3.44944e-06

           Step           Time
      232950000   465900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45684e+03    1.80953e+04    1.24315e+04    1.07639e+03   -2.94543e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64130e+03    1.04470e+05    2.77179e+05   -1.71788e+04   -2.15168e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20114e+04   -1.73445e+06    3.47653e+05   -1.38679e+06   -9.99500e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12005e+02   -2.11732e+02   -8.47974e+01    3.59396e-06

           Step           Time
      232955000   465910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77362e+03    1.83515e+04    1.23306e+04    1.01525e+03   -2.98490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49061e+03    1.04022e+05    2.81088e+05   -1.71839e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21665e+04   -1.73449e+06    3.46407e+05   -1.38808e+06   -9.94312e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10887e+02   -2.11858e+02   -6.83566e+00    3.57479e-06

           Step           Time
      232960000   465920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60824e+03    1.79592e+04    1.23836e+04    1.07567e+03   -2.85476e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65012e+03    1.04003e+05    2.79650e+05   -1.72160e+04   -2.15551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19783e+04   -1.73627e+06    3.47128e+05   -1.38914e+06   -9.95925e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11533e+02   -2.12651e+02   -3.15811e+00    3.63113e-06

           Step           Time
      232965000   465930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57977e+03    1.80237e+04    1.22519e+04    1.03564e+03   -2.81908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62306e+03    1.04412e+05    2.84408e+05   -1.72058e+04   -2.16088e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18765e+04   -1.73670e+06    3.47810e+05   -1.38889e+06   -9.96512e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12146e+02   -2.12399e+02    1.29140e+02    3.60706e-06

           Step           Time
      232970000   465940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54468e+03    1.82474e+04    1.23330e+04    1.14748e+03   -2.94050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47346e+03    1.04266e+05    2.83797e+05   -1.71788e+04   -2.15817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18846e+04   -1.73460e+06    3.45914e+05   -1.38868e+06   -9.88862e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10445e+02   -2.11734e+02    1.22901e+02    3.51007e-06

           Step           Time
      232975000   465950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72531e+03    1.84757e+04    1.22500e+04    1.04991e+03   -2.92988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42717e+03    1.04041e+05    2.82402e+05   -1.71767e+04   -2.15470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18611e+04   -1.73258e+06    3.48455e+05   -1.38412e+06   -9.88438e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12725e+02   -2.11682e+02    6.92337e+01    3.65948e-06

           Step           Time
      232980000   465960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49109e+03    1.82542e+04    1.25316e+04    1.09895e+03   -2.82571e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41433e+03    1.04574e+05    2.78569e+05   -1.72196e+04   -2.15421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19713e+04   -1.73535e+06    3.45983e+05   -1.38937e+06   -9.84588e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10506e+02   -2.12739e+02   -9.04046e+01    3.53534e-06

           Step           Time
      232985000   465970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38999e+03    1.79855e+04    1.24124e+04    1.00279e+03   -2.84750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53445e+03    1.04346e+05    2.80071e+05   -1.71995e+04   -2.15567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19831e+04   -1.73599e+06    3.44250e+05   -1.39174e+06   -9.85312e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08951e+02   -2.12244e+02   -4.50536e+01    3.62842e-06

           Step           Time
      232990000   465980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38998e+03    1.83545e+04    1.22607e+04    1.06442e+03   -2.87906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35531e+03    1.04302e+05    2.82601e+05   -1.71855e+04   -2.15855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22134e+04   -1.73607e+06    3.45684e+05   -1.39039e+06   -9.79325e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10238e+02   -2.11897e+02    3.27023e+01    3.48152e-06

           Step           Time
      232995000   465990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40210e+03    1.80874e+04    1.22758e+04    1.14875e+03   -2.67175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51996e+03    1.04133e+05    2.79386e+05   -1.71910e+04   -2.15445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19277e+04   -1.73543e+06    3.47867e+05   -1.38757e+06   -9.79488e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12197e+02   -2.12033e+02   -7.88085e+01    3.74385e-06

           Step           Time
      233000000   466000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51578e+03    1.82153e+04    1.23379e+04    1.04952e+03   -2.87946e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48493e+03    1.03957e+05    2.83035e+05   -1.72343e+04   -2.15952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17891e+04   -1.73725e+06    3.46351e+05   -1.39090e+06   -9.73338e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10836e+02   -2.13102e+02    1.29426e+02    3.56666e-06

           Step           Time
      233005000   466010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43167e+03    1.79363e+04    1.24242e+04    1.06276e+03   -2.77333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73805e+03    1.04343e+05    2.78781e+05   -1.71994e+04   -2.15495e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21791e+04   -1.73603e+06    3.48263e+05   -1.38776e+06   -9.74725e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12553e+02   -2.12240e+02    7.68345e+00    3.67175e-06

           Step           Time
      233010000   466020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51246e+03    1.84958e+04    1.23495e+04    1.12906e+03   -2.79322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42237e+03    1.03922e+05    2.82720e+05   -1.72033e+04   -2.15592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19839e+04   -1.73338e+06    3.46609e+05   -1.38677e+06   -9.67562e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11068e+02   -2.12338e+02    1.02494e+02    3.66556e-06

           Step           Time
      233015000   466030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52483e+03    1.84176e+04    1.23217e+04    1.11236e+03   -2.75231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37445e+03    1.04026e+05    2.80803e+05   -1.71595e+04   -2.15459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21848e+04   -1.73374e+06    3.45295e+05   -1.38845e+06   -9.64888e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09889e+02   -2.11258e+02    5.21297e+00    3.64568e-06

           Step           Time
      233020000   466040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52137e+03    1.82041e+04    1.22283e+04    1.08617e+03   -2.94726e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41343e+03    1.04211e+05    2.80851e+05   -1.72093e+04   -2.15490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21042e+04   -1.73444e+06    3.46122e+05   -1.38831e+06   -9.64650e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10631e+02   -2.12485e+02   -7.53952e+00    3.56686e-06

           Step           Time
      233025000   466050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65642e+03    1.79521e+04    1.23730e+04    9.65922e+02   -2.96067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64924e+03    1.04631e+05    2.81176e+05   -1.71923e+04   -2.15668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19596e+04   -1.73547e+06    3.48744e+05   -1.38673e+06   -9.62000e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12984e+02   -2.12065e+02    2.52847e+01    3.71392e-06

           Step           Time
      233030000   466060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71466e+03    1.81920e+04    1.25187e+04    1.15844e+03   -2.79380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63298e+03    1.03867e+05    2.82166e+05   -1.71536e+04   -2.15540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19950e+04   -1.73310e+06    3.46471e+05   -1.38663e+06   -9.55188e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10944e+02   -2.11114e+02    1.66118e+00    3.58127e-06

           Step           Time
      233035000   466070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31186e+03    1.82295e+04    1.23414e+04    1.06334e+03   -2.76967e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51725e+03    1.04351e+05    2.80162e+05   -1.72011e+04   -2.15676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18810e+04   -1.73687e+06    3.47600e+05   -1.38927e+06   -9.56675e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11957e+02   -2.12282e+02   -1.03588e+01    3.68631e-06

           Step           Time
      233040000   466080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48572e+03    1.80909e+04    1.22526e+04    1.07262e+03   -2.83080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77588e+03    1.04128e+05    2.78363e+05   -1.71385e+04   -2.15112e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21143e+04   -1.73280e+06    3.47697e+05   -1.38511e+06   -9.53225e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12045e+02   -2.10741e+02   -5.67646e+01    3.51228e-06

           Step           Time
      233045000   466090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49812e+03    1.81581e+04    1.22779e+04    1.07640e+03   -2.84637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53515e+03    1.04126e+05    2.78737e+05   -1.71813e+04   -2.15301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20666e+04   -1.73456e+06    3.47400e+05   -1.38716e+06   -9.50725e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11778e+02   -2.11795e+02   -6.34876e+01    3.52638e-06

           Step           Time
      233050000   466100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66102e+03    1.80004e+04    1.22758e+04    1.10820e+03   -2.91254e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47022e+03    1.03605e+05    2.77362e+05   -1.72101e+04   -2.15202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21488e+04   -1.73552e+06    3.45705e+05   -1.38981e+06   -9.48525e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10257e+02   -2.12505e+02   -1.22212e+02    3.70121e-06

           Step           Time
      233055000   466110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50674e+03    1.82357e+04    1.21391e+04    1.18304e+03   -2.79442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54311e+03    1.03834e+05    2.81002e+05   -1.71782e+04   -2.15736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20540e+04   -1.73683e+06    3.46688e+05   -1.39014e+06   -9.44775e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11139e+02   -2.11719e+02   -2.03257e+01    3.65349e-06

           Step           Time
      233060000   466120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69020e+03    1.83093e+04    1.24322e+04    1.05813e+03   -2.78385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61080e+03    1.03903e+05    2.82125e+05   -1.71859e+04   -2.15590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19516e+04   -1.73379e+06    3.47998e+05   -1.38579e+06   -9.40975e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12315e+02   -2.11908e+02    8.75269e+01    3.51869e-06

           Step           Time
      233065000   466130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56916e+03    1.81165e+04    1.24044e+04    1.14775e+03   -2.84907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52539e+03    1.04549e+05    2.80982e+05   -1.71825e+04   -2.15676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20750e+04   -1.73542e+06    3.47020e+05   -1.38840e+06   -9.38000e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11436e+02   -2.11824e+02   -3.71710e+01    3.64155e-06

           Step           Time
      233070000   466140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58391e+03    1.81693e+04    1.23448e+04    1.05692e+03   -2.89574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44154e+03    1.04125e+05    2.78737e+05   -1.71606e+04   -2.15198e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20556e+04   -1.73352e+06    3.46971e+05   -1.38655e+06   -9.36488e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11393e+02   -2.11284e+02   -7.97871e+01    3.72675e-06

           Step           Time
      233075000   466150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48426e+03    1.83027e+04    1.25375e+04    1.13339e+03   -2.92209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54778e+03    1.04223e+05    2.82151e+05   -1.72108e+04   -2.15757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19022e+04   -1.73542e+06    3.45943e+05   -1.38948e+06   -9.27225e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10471e+02   -2.12522e+02    2.91305e+01    3.60521e-06

Writing checkpoint, step 233079900 at Fri Dec  1 22:53:07 2023


           Step           Time
      233080000   466160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46114e+03    1.87020e+04    1.23840e+04    1.11808e+03   -2.96418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57542e+03    1.03864e+05    2.81410e+05   -1.72084e+04   -2.15627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21444e+04   -1.73478e+06    3.46240e+05   -1.38854e+06   -9.28762e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10737e+02   -2.12463e+02    8.43657e+01    3.47341e-06

           Step           Time
      233085000   466170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38637e+03    1.83325e+04    1.23436e+04    1.08094e+03   -2.95061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54240e+03    1.04098e+05    2.82283e+05   -1.71805e+04   -2.15918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20436e+04   -1.73720e+06    3.45764e+05   -1.39144e+06   -9.28362e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10309e+02   -2.11774e+02    2.63292e+01    3.42887e-06

           Step           Time
      233090000   466180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52210e+03    1.83121e+04    1.21223e+04    1.04583e+03   -2.77424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46919e+03    1.04427e+05    2.77079e+05   -1.71371e+04   -2.15112e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19449e+04   -1.73411e+06    3.46591e+05   -1.38752e+06   -9.27388e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11052e+02   -2.10708e+02   -1.01535e+02    3.66534e-06

           Step           Time
      233095000   466190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52446e+03    1.82290e+04    1.24236e+04    1.10301e+03   -2.87491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43252e+03    1.03888e+05    2.81640e+05   -1.71957e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20541e+04   -1.73452e+06    3.46280e+05   -1.38824e+06   -9.22662e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10773e+02   -2.12149e+02   -8.24066e+00    3.71173e-06

           Step           Time
      233100000   466200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59241e+03    1.81718e+04    1.25421e+04    1.13743e+03   -2.89507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43787e+03    1.03730e+05    2.80660e+05   -1.71810e+04   -2.15616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18530e+04   -1.73611e+06    3.47775e+05   -1.38834e+06   -9.20800e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12115e+02   -2.11788e+02   -6.14858e+01    3.57774e-06

           Step           Time
      233105000   466210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62765e+03    1.81580e+04    1.23184e+04    1.10106e+03   -2.83503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43358e+03    1.03985e+05    2.81281e+05   -1.71923e+04   -2.15753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18773e+04   -1.73677e+06    3.46262e+05   -1.39051e+06   -9.20138e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10757e+02   -2.12067e+02   -8.61811e+01    3.65254e-06

           Step           Time
      233110000   466220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71538e+03    1.83080e+04    1.23165e+04    1.18640e+03   -2.82285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41051e+03    1.03730e+05    2.79517e+05   -1.71813e+04   -2.15345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20686e+04   -1.73420e+06    3.46016e+05   -1.38819e+06   -9.16575e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10536e+02   -2.11794e+02   -9.47208e+01    3.50947e-06

           Step           Time
      233115000   466230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39896e+03    1.83528e+04    1.23609e+04    1.15468e+03   -2.86725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56734e+03    1.03603e+05    2.80469e+05   -1.71816e+04   -2.15447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20065e+04   -1.73461e+06    3.48326e+05   -1.38628e+06   -9.13200e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12609e+02   -2.11801e+02   -3.71720e+01    3.48487e-06

           Step           Time
      233120000   466240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60186e+03    1.78858e+04    1.24043e+04    1.10783e+03   -2.88251e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36073e+03    1.03887e+05    2.81417e+05   -1.71926e+04   -2.15744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18299e+04   -1.73702e+06    3.45870e+05   -1.39115e+06   -9.08012e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10405e+02   -2.12073e+02   -9.25285e+01    3.56568e-06

           Step           Time
      233125000   466250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59653e+03    1.84061e+04    1.21897e+04    1.07455e+03   -2.84878e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45992e+03    1.03923e+05    2.78519e+05   -1.71587e+04   -2.15278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20369e+04   -1.73458e+06    3.45455e+05   -1.38912e+06   -9.03625e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10032e+02   -2.11237e+02   -1.64603e+02    3.41684e-06

           Step           Time
      233130000   466260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47752e+03    1.83048e+04    1.23308e+04    1.10348e+03   -2.88074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43344e+03    1.04187e+05    2.81279e+05   -1.72024e+04   -2.15718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19320e+04   -1.73621e+06    3.47277e+05   -1.38894e+06   -9.01500e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11668e+02   -2.12315e+02    3.15165e+01    3.47786e-06

           Step           Time
      233135000   466270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51102e+03    1.81729e+04    1.24206e+04    1.17612e+03   -2.84260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41827e+03    1.04189e+05    2.80570e+05   -1.71820e+04   -2.15475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20198e+04   -1.73430e+06    3.47780e+05   -1.38652e+06   -8.98062e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12119e+02   -2.11811e+02   -2.02333e+01    3.55930e-06

           Step           Time
      233140000   466280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68232e+03    1.81801e+04    1.26050e+04    1.09364e+03   -2.93106e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49850e+03    1.04169e+05    2.81363e+05   -1.71799e+04   -2.15518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20964e+04   -1.73360e+06    3.45306e+05   -1.38829e+06   -8.92750e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09899e+02   -2.11761e+02   -7.85065e+00    3.41411e-06

           Step           Time
      233145000   466290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48805e+03    1.81358e+04    1.23496e+04    1.10919e+03   -2.99153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37240e+03    1.04422e+05    2.81702e+05   -1.71778e+04   -2.15770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20593e+04   -1.73623e+06    3.46098e+05   -1.39013e+06   -8.89962e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10609e+02   -2.11709e+02   -5.44438e+01    3.42544e-06

           Step           Time
      233150000   466300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62619e+03    1.83658e+04    1.23141e+04    1.08361e+03   -2.92712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56513e+03    1.03705e+05    2.81775e+05   -1.72107e+04   -2.15595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22562e+04   -1.73440e+06    3.46564e+05   -1.38783e+06   -8.90462e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11028e+02   -2.12519e+02    1.18842e+02    3.50625e-06

           Step           Time
      233155000   466310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55333e+03    1.79645e+04    1.23358e+04    1.10236e+03   -2.94796e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60446e+03    1.04084e+05    2.81096e+05   -1.71991e+04   -2.15837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19171e+04   -1.73786e+06    3.45320e+05   -1.39254e+06   -8.91512e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09911e+02   -2.12234e+02    4.29581e+01    3.43537e-06

           Step           Time
      233160000   466320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82575e+03    1.83021e+04    1.21274e+04    1.07517e+03   -2.83184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.27333e+03    1.04066e+05    2.79034e+05   -1.71359e+04   -2.15244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18983e+04   -1.73380e+06    3.45793e+05   -1.38801e+06   -8.86612e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10336e+02   -2.10679e+02   -2.09174e+02    3.54967e-06

           Step           Time
      233165000   466330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52973e+03    1.81586e+04    1.23924e+04    1.15610e+03   -2.91023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59100e+03    1.04438e+05    2.80442e+05   -1.71610e+04   -2.15567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20381e+04   -1.73500e+06    3.46246e+05   -1.38875e+06   -8.85100e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10743e+02   -2.11296e+02   -1.27133e+01    3.59545e-06

           Step           Time
      233170000   466340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55918e+03    1.82348e+04    1.23074e+04    1.09172e+03   -3.02134e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55704e+03    1.04778e+05    2.80550e+05   -1.71694e+04   -2.15641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19356e+04   -1.73558e+06    3.45348e+05   -1.39024e+06   -8.80688e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09936e+02   -2.11502e+02   -1.15272e+01    3.48334e-06

           Step           Time
      233175000   466350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64066e+03    1.79699e+04    1.23580e+04    1.17221e+03   -3.00768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47979e+03    1.04317e+05    2.80517e+05   -1.71790e+04   -2.15379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19385e+04   -1.73358e+06    3.47596e+05   -1.38598e+06   -8.81375e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11954e+02   -2.11737e+02    9.78729e-01    3.74100e-06

           Step           Time
      233180000   466360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48173e+03    1.81324e+04    1.25363e+04    1.19724e+03   -2.89261e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57583e+03    1.04961e+05    2.82951e+05   -1.72436e+04   -2.15697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20071e+04   -1.73326e+06    3.47471e+05   -1.38579e+06   -8.78262e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11842e+02   -2.13331e+02    1.81126e+02    3.52334e-06

           Step           Time
      233185000   466370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58646e+03    1.79366e+04    1.24237e+04    1.06981e+03   -2.88365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49309e+03    1.04599e+05    2.81916e+05   -1.72113e+04   -2.15996e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20980e+04   -1.73793e+06    3.46009e+05   -1.39192e+06   -8.70625e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10530e+02   -2.12534e+02    3.36395e+01    3.47772e-06

           Step           Time
      233190000   466380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64593e+03    1.81658e+04    1.24475e+04    1.09365e+03   -2.83654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38621e+03    1.04918e+05    2.82750e+05   -1.71973e+04   -2.15973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21262e+04   -1.73623e+06    3.46028e+05   -1.39021e+06   -8.68550e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10547e+02   -2.12189e+02    4.41741e+01    3.39017e-06

           Step           Time
      233195000   466390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45561e+03    1.82328e+04    1.23561e+04    1.08726e+03   -2.83632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58668e+03    1.04604e+05    2.79971e+05   -1.72226e+04   -2.15496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19516e+04   -1.73477e+06    3.46063e+05   -1.38871e+06   -8.67462e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10578e+02   -2.12813e+02    2.93976e+01    3.44289e-06

           Step           Time
      233200000   466400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30025e+03    1.78883e+04    1.23772e+04    1.08584e+03   -2.78241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64871e+03    1.04931e+05    2.75911e+05   -1.71921e+04   -2.15007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21793e+04   -1.73372e+06    3.45793e+05   -1.38793e+06   -8.66800e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10336e+02   -2.12060e+02   -1.29868e+02    3.42500e-06

           Step           Time
      233205000   466410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47561e+03    1.83321e+04    1.25599e+04    1.11443e+03   -2.88260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62364e+03    1.04227e+05    2.81914e+05   -1.72008e+04   -2.15686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19536e+04   -1.73474e+06    3.49087e+05   -1.38565e+06   -8.62038e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13292e+02   -2.12274e+02    1.13721e+02    3.59357e-06

           Step           Time
      233210000   466420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51287e+03    1.82625e+04    1.22186e+04    1.05550e+03   -2.89500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48938e+03    1.04274e+05    2.79575e+05   -1.71788e+04   -2.15506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20554e+04   -1.73570e+06    3.45105e+05   -1.39059e+06   -8.57962e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09719e+02   -2.11733e+02   -9.84266e+01    3.46528e-06

           Step           Time
      233215000   466430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30676e+03    1.81463e+04    1.22824e+04    1.04189e+03   -2.91005e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47226e+03    1.04158e+05    2.80849e+05   -1.72291e+04   -2.15843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18456e+04   -1.73847e+06    3.44993e+05   -1.39348e+06   -8.55638e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09618e+02   -2.12973e+02    8.27234e+00    3.51953e-06

           Step           Time
      233220000   466440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40106e+03    1.78710e+04    1.24171e+04    1.07447e+03   -2.92369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56285e+03    1.04158e+05    2.79246e+05   -1.71864e+04   -2.15568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20211e+04   -1.73704e+06    3.46301e+05   -1.39074e+06   -8.56688e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10792e+02   -2.11921e+02   -8.19838e+01    3.67319e-06

           Step           Time
      233225000   466450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55948e+03    1.83509e+04    1.24425e+04    1.09149e+03   -2.92385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53830e+03    1.04130e+05    2.83551e+05   -1.72081e+04   -2.15814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19857e+04   -1.73462e+06    3.47352e+05   -1.38727e+06   -8.45225e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11735e+02   -2.12455e+02    8.97815e+01    3.53887e-06

           Step           Time
      233230000   466460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62275e+03    1.82102e+04    1.24752e+04    1.14302e+03   -2.83719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52743e+03    1.04330e+05    2.82259e+05   -1.72322e+04   -2.15941e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21079e+04   -1.73680e+06    3.47963e+05   -1.38884e+06   -8.45175e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12284e+02   -2.13049e+02    5.87458e+01    3.59584e-06

           Step           Time
      233235000   466470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43613e+03    1.81361e+04    1.23876e+04    1.14702e+03   -2.88159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60234e+03    1.04096e+05    2.82870e+05   -1.72231e+04   -2.15841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19812e+04   -1.73586e+06    3.46606e+05   -1.38925e+06   -8.42862e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11066e+02   -2.12824e+02    7.98884e+01    3.55700e-06

           Step           Time
      233240000   466480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68509e+03    1.81388e+04    1.23330e+04    1.03288e+03   -2.79402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49047e+03    1.04575e+05    2.81675e+05   -1.71840e+04   -2.15696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21327e+04   -1.73488e+06    3.47824e+05   -1.38706e+06   -8.37412e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12159e+02   -2.11861e+02   -3.29267e+01    3.39784e-06

           Step           Time
      233245000   466490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50753e+03    1.80529e+04    1.23738e+04    1.09110e+03   -2.82934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43411e+03    1.04513e+05    2.82063e+05   -1.71987e+04   -2.15899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21864e+04   -1.73680e+06    3.47066e+05   -1.38973e+06   -8.34375e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11478e+02   -2.12224e+02   -1.04610e+00    3.62214e-06

           Step           Time
      233250000   466500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60896e+03    1.87634e+04    1.25064e+04    1.02061e+03   -2.91094e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38600e+03    1.04497e+05    2.79421e+05   -1.72142e+04   -2.15342e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19110e+04   -1.73343e+06    3.45658e+05   -1.38777e+06   -8.23500e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10215e+02   -2.12606e+02   -7.59577e+01    3.44653e-06

           Step           Time
      233255000   466510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69409e+03    1.78895e+04    1.24490e+04    1.11384e+03   -2.86073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46716e+03    1.04351e+05    2.78648e+05   -1.72403e+04   -2.15267e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19896e+04   -1.73417e+06    3.47201e+05   -1.38697e+06   -8.23488e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11600e+02   -2.13251e+02   -8.87242e+00    3.41913e-06

           Step           Time
      233260000   466520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54015e+03    1.79462e+04    1.25460e+04    1.10784e+03   -2.92906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53135e+03    1.04419e+05    2.82951e+05   -1.72021e+04   -2.15824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20463e+04   -1.73528e+06    3.44061e+05   -1.39122e+06   -8.21125e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08781e+02   -2.12308e+02    1.01654e+02    3.42318e-06

           Step           Time
      233265000   466530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38264e+03    1.84718e+04    1.23831e+04    1.03333e+03   -2.84332e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56462e+03    1.04291e+05    2.81581e+05   -1.71978e+04   -2.15860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20095e+04   -1.73693e+06    3.48050e+05   -1.38888e+06   -8.19050e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12361e+02   -2.12201e+02    2.68528e+01    3.53174e-06

           Step           Time
      233270000   466540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52833e+03    1.83735e+04    1.23356e+04    1.09100e+03   -2.86678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47260e+03    1.04634e+05    2.78015e+05   -1.71616e+04   -2.15220e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20274e+04   -1.73375e+06    3.46404e+05   -1.38735e+06   -8.17962e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10885e+02   -2.11310e+02   -1.76893e+02    3.47954e-06

           Step           Time
      233275000   466550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44418e+03    1.82282e+04    1.24048e+04    1.09824e+03   -2.88512e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66142e+03    1.04681e+05    2.80166e+05   -1.71987e+04   -2.15394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20273e+04   -1.73332e+06    3.47996e+05   -1.38532e+06   -8.16900e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12313e+02   -2.12223e+02    5.82310e+01    3.55708e-06

           Step           Time
      233280000   466560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51044e+03    1.82675e+04    1.23510e+04    1.05282e+03   -2.74866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55096e+03    1.05013e+05    2.80598e+05   -1.71485e+04   -2.15607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20479e+04   -1.73458e+06    3.47238e+05   -1.38734e+06   -8.09100e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11632e+02   -2.10988e+02   -3.88837e+01    3.53468e-06

           Step           Time
      233285000   466570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49844e+03    1.83017e+04    1.23353e+04    1.07629e+03   -2.80627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39122e+03    1.04668e+05    2.80303e+05   -1.71943e+04   -2.15683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20829e+04   -1.73618e+06    3.46296e+05   -1.38988e+06   -8.10750e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10787e+02   -2.12114e+02   -1.52320e+01    3.46752e-06

           Step           Time
      233290000   466580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33677e+03    1.82162e+04    1.23071e+04    1.04678e+03   -2.91955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49483e+03    1.04421e+05    2.80038e+05   -1.72026e+04   -2.15744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18750e+04   -1.73782e+06    3.46768e+05   -1.39105e+06   -8.05375e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11211e+02   -2.12320e+02   -3.61818e+01    3.52879e-06

           Step           Time
      233295000   466590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63162e+03    1.80345e+04    1.25424e+04    1.22165e+03   -2.82135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54656e+03    1.04440e+05    2.81449e+05   -1.71823e+04   -2.15542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20295e+04   -1.73353e+06    3.48453e+05   -1.38508e+06   -8.03938e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12723e+02   -2.11819e+02    2.20037e+01    3.31102e-06

           Step           Time
      233300000   466600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51326e+03    1.79846e+04    1.23527e+04    1.07050e+03   -2.94600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52129e+03    1.04722e+05    2.80760e+05   -1.71314e+04   -2.15485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18831e+04   -1.73412e+06    3.45836e+05   -1.38828e+06   -8.02925e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10375e+02   -2.10568e+02   -7.42012e+01    3.64612e-06

           Step           Time
      233305000   466610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50796e+03    1.84386e+04    1.23231e+04    1.05306e+03   -2.79211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53927e+03    1.04730e+05    2.80879e+05   -1.72232e+04   -2.15657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18280e+04   -1.73529e+06    3.45125e+05   -1.39016e+06   -7.95388e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09736e+02   -2.12827e+02    1.01789e+02    3.48952e-06

           Step           Time
      233310000   466620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72645e+03    1.80193e+04    1.22536e+04    1.04356e+03   -2.83831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44617e+03    1.04716e+05    2.76758e+05   -1.71835e+04   -2.15286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19397e+04   -1.73598e+06    3.45531e+05   -1.39045e+06   -7.96862e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10101e+02   -2.11849e+02   -1.77487e+02    3.35467e-06

           Step           Time
      233315000   466630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68445e+03    1.81365e+04    1.25519e+04    1.07952e+03   -2.85240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46649e+03    1.04332e+05    2.79812e+05   -1.72060e+04   -2.15476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18655e+04   -1.73489e+06    3.46270e+05   -1.38862e+06   -7.96850e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10764e+02   -2.12404e+02    5.82649e+00    3.62438e-06

           Step           Time
      233320000   466640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65461e+03    1.85773e+04    1.23841e+04    1.11967e+03   -2.95407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43280e+03    1.04277e+05    2.79072e+05   -1.72262e+04   -2.15421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21785e+04   -1.73470e+06    3.48625e+05   -1.38607e+06   -7.88250e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12877e+02   -2.12901e+02   -4.48273e+01    3.58718e-06

           Step           Time
      233325000   466650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59690e+03    1.79425e+04    1.24690e+04    1.01844e+03   -2.94057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41917e+03    1.04470e+05    2.80190e+05   -1.71613e+04   -2.15466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21130e+04   -1.73454e+06    3.45689e+05   -1.38885e+06   -7.90425e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10243e+02   -2.11303e+02   -6.65416e+01    3.43893e-06

           Step           Time
      233330000   466660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58520e+03    1.84062e+04    1.22198e+04    9.95027e+02   -2.88824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66859e+03    1.04462e+05    2.80334e+05   -1.71955e+04   -2.15480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19683e+04   -1.73424e+06    3.47827e+05   -1.38642e+06   -7.86012e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12161e+02   -2.12144e+02    4.16573e+01    3.56597e-06

           Step           Time
      233335000   466670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46834e+03    1.84076e+04    1.21763e+04    1.05711e+03   -2.80865e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48051e+03    1.04057e+05    2.76405e+05   -1.71789e+04   -2.15004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19830e+04   -1.73399e+06    3.49281e+05   -1.38471e+06   -7.87388e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13466e+02   -2.11736e+02   -1.33646e+02    3.53063e-06

           Step           Time
      233340000   466680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51101e+03    1.83443e+04    1.24895e+04    1.09565e+03   -2.92239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57734e+03    1.04440e+05    2.82002e+05   -1.71973e+04   -2.15576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20511e+04   -1.73337e+06    3.45893e+05   -1.38747e+06   -7.81550e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10425e+02   -2.12189e+02    1.35869e+02    3.47513e-06

           Step           Time
      233345000   466690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30831e+03    1.81962e+04    1.22497e+04    1.13105e+03   -2.69372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53389e+03    1.04802e+05    2.80857e+05   -1.72104e+04   -2.15785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19466e+04   -1.73673e+06    3.45967e+05   -1.39076e+06   -7.80462e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10492e+02   -2.12513e+02    7.29810e+00    3.58975e-06

           Step           Time
      233350000   466700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38614e+03    1.81324e+04    1.23279e+04    1.11261e+03   -2.73628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52319e+03    1.04439e+05    2.81247e+05   -1.72265e+04   -2.15766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22063e+04   -1.73624e+06    3.46162e+05   -1.39008e+06   -7.78250e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10667e+02   -2.12910e+02    3.74645e+01    3.57885e-06

           Step           Time
      233355000   466710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63229e+03    1.80064e+04    1.23326e+04    1.12774e+03   -2.82586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45525e+03    1.04771e+05    2.79861e+05   -1.71518e+04   -2.15502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20991e+04   -1.73471e+06    3.47393e+05   -1.38732e+06   -7.75988e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11772e+02   -2.11070e+02   -9.03765e+01    3.56680e-06

           Step           Time
      233360000   466720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50456e+03    1.81361e+04    1.22526e+04    1.01850e+03   -2.89120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43108e+03    1.04624e+05    2.81122e+05   -1.71657e+04   -2.15743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21871e+04   -1.73622e+06    3.45750e+05   -1.39047e+06   -7.70862e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10297e+02   -2.11410e+02   -8.42323e+01    3.49911e-06

           Step           Time
      233365000   466730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66137e+03    1.87364e+04    1.24523e+04    1.11134e+03   -2.89453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44535e+03    1.04576e+05    2.79975e+05   -1.71882e+04   -2.15356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19610e+04   -1.73272e+06    3.45230e+05   -1.38749e+06   -7.62512e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09830e+02   -2.11965e+02   -2.03043e+01    3.63184e-06

           Step           Time
      233370000   466740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46715e+03    1.81097e+04    1.23233e+04    1.06342e+03   -2.82922e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52667e+03    1.04582e+05    2.81970e+05   -1.71939e+04   -2.15605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20185e+04   -1.73401e+06    3.46228e+05   -1.38778e+06   -7.66788e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10726e+02   -2.12104e+02    1.03082e+02    3.56856e-06

           Step           Time
      233375000   466750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48208e+03    1.79839e+04    1.23195e+04    1.13973e+03   -2.87928e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48464e+03    1.04378e+05    2.82805e+05   -1.72500e+04   -2.16086e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19647e+04   -1.73843e+06    3.45881e+05   -1.39255e+06   -7.63462e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10415e+02   -2.13490e+02    1.28998e+02    3.59718e-06

           Step           Time
      233380000   466760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48006e+03    1.83997e+04    1.23680e+04    1.04154e+03   -2.72619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50631e+03    1.04083e+05    2.80525e+05   -1.71951e+04   -2.15450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18707e+04   -1.73415e+06    3.46319e+05   -1.38783e+06   -7.59312e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10808e+02   -2.12136e+02    7.82538e+00    3.60135e-06

           Step           Time
      233385000   466770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37177e+03    1.81651e+04    1.23055e+04    1.02857e+03   -2.85327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56035e+03    1.04301e+05    2.80526e+05   -1.71724e+04   -2.15750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18926e+04   -1.73738e+06    3.46146e+05   -1.39123e+06   -7.54725e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10652e+02   -2.11575e+02   -4.02980e+01    3.58404e-06

           Step           Time
      233390000   466780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59508e+03    1.80206e+04    1.23755e+04    1.00912e+03   -2.85425e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49209e+03    1.04537e+05    2.81190e+05   -1.71556e+04   -2.15853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20621e+04   -1.73726e+06    3.44535e+05   -1.39272e+06   -7.51788e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09207e+02   -2.11163e+02   -3.50102e+01    3.63998e-06

           Step           Time
      233395000   466790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44233e+03    1.84578e+04    1.22745e+04    1.14945e+03   -2.79345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45307e+03    1.04663e+05    2.79914e+05   -1.71795e+04   -2.15552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21710e+04   -1.73497e+06    3.47194e+05   -1.38778e+06   -7.50262e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11593e+02   -2.11750e+02   -3.97529e+01    3.54367e-06

           Step           Time
      233400000   466800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43797e+03    1.80082e+04    1.22566e+04    1.04761e+03   -2.86126e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42607e+03    1.04597e+05    2.81673e+05   -1.71967e+04   -2.15865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17755e+04   -1.73748e+06    3.45506e+05   -1.39198e+06   -7.46500e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10079e+02   -2.12175e+02    1.27590e+01    3.53480e-06

           Step           Time
      233405000   466810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40589e+03    1.82897e+04    1.22207e+04    1.10502e+03   -2.90322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41183e+03    1.04770e+05    2.83824e+05   -1.72276e+04   -2.16021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18897e+04   -1.73642e+06    3.46100e+05   -1.39032e+06   -7.42138e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10612e+02   -2.12937e+02    1.47710e+02    3.41432e-06

           Step           Time
      233410000   466820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38231e+03    1.83774e+04    1.24184e+04    1.07319e+03   -2.88645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56625e+03    1.04120e+05    2.80329e+05   -1.71354e+04   -2.15433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21134e+04   -1.73397e+06    3.47304e+05   -1.38667e+06   -7.43850e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11692e+02   -2.10665e+02   -2.31834e+01    3.55067e-06

           Step           Time
      233415000   466830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63311e+03    1.82085e+04    1.22171e+04    1.10570e+03   -2.80530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.31733e+03    1.04486e+05    2.80747e+05   -1.71582e+04   -2.15613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18666e+04   -1.73551e+06    3.46288e+05   -1.38922e+06   -7.37688e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10780e+02   -2.11227e+02   -1.05038e+02    3.42550e-06

           Step           Time
      233420000   466840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68462e+03    1.80199e+04    1.25122e+04    1.09183e+03   -2.91061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48165e+03    1.04410e+05    2.81824e+05   -1.71781e+04   -2.15693e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20007e+04   -1.73500e+06    3.46442e+05   -1.38855e+06   -7.33512e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10918e+02   -2.11717e+02    5.92887e+00    3.60466e-06

           Step           Time
      233425000   466850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48225e+03    1.83634e+04    1.23656e+04    1.13902e+03   -2.89273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45004e+03    1.04464e+05    2.81928e+05   -1.71659e+04   -2.15696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20761e+04   -1.73475e+06    3.46005e+05   -1.38874e+06   -7.28912e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10526e+02   -2.11416e+02    1.90141e+01    3.49990e-06

           Step           Time
      233430000   466860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36802e+03    1.81548e+04    1.25466e+04    1.07346e+03   -2.95782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46234e+03    1.04569e+05    2.79965e+05   -1.72154e+04   -2.15535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18721e+04   -1.73552e+06    3.44560e+05   -1.39096e+06   -7.26000e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09229e+02   -2.12636e+02   -2.70391e+01    3.55077e-06

           Step           Time
      233435000   466870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51769e+03    1.82738e+04    1.23451e+04    1.07746e+03   -2.93683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46121e+03    1.04800e+05    2.77833e+05   -1.72337e+04   -2.15045e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21179e+04   -1.73219e+06    3.46256e+05   -1.38594e+06   -7.24425e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10751e+02   -2.13086e+02   -5.00609e+01    3.61220e-06

           Step           Time
      233440000   466880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58955e+03    1.81842e+04    1.24572e+04    1.07211e+03   -2.89856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46945e+03    1.04346e+05    2.82707e+05   -1.72036e+04   -2.15802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20410e+04   -1.73525e+06    3.46687e+05   -1.38857e+06   -7.18888e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11138e+02   -2.12343e+02    5.46196e+01    3.59245e-06

           Step           Time
      233445000   466890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76634e+03    1.83091e+04    1.22971e+04    1.11687e+03   -2.96426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37733e+03    1.04343e+05    2.80039e+05   -1.72091e+04   -2.15416e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19897e+04   -1.73409e+06    3.46853e+05   -1.38724e+06   -7.17600e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11287e+02   -2.12481e+02   -6.58297e+01    3.44873e-06

           Step           Time
      233450000   466900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72829e+03    1.77399e+04    1.22725e+04    1.10333e+03   -2.83322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50228e+03    1.04356e+05    2.80853e+05   -1.71931e+04   -2.15531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20613e+04   -1.73472e+06    3.46149e+05   -1.38857e+06   -7.11862e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10656e+02   -2.12086e+02   -1.31024e+01    3.65481e-06

           Step           Time
      233455000   466910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45220e+03    1.83023e+04    1.25379e+04    1.14859e+03   -2.79427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48755e+03    1.04237e+05    2.82409e+05   -1.72317e+04   -2.15932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20152e+04   -1.73675e+06    3.47703e+05   -1.38905e+06   -7.07462e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12050e+02   -2.13037e+02    1.29433e+02    3.46960e-06

           Step           Time
      233460000   466920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52988e+03    1.84105e+04    1.25161e+04    1.07865e+03   -2.97207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62114e+03    1.04555e+05    2.80753e+05   -1.71443e+04   -2.15697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21463e+04   -1.73548e+06    3.47075e+05   -1.38840e+06   -7.09738e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11486e+02   -2.10885e+02    8.18011e-01    3.62685e-06

           Step           Time
      233465000   466930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82483e+03    1.77318e+04    1.22920e+04    1.01988e+03   -2.81439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36388e+03    1.04607e+05    2.81721e+05   -1.71934e+04   -2.15897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19252e+04   -1.73749e+06    3.47822e+05   -1.38967e+06   -7.09850e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12156e+02   -2.12093e+02   -4.61418e+01    3.72990e-06

           Step           Time
      233470000   466940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72921e+03    1.81474e+04    1.21565e+04    1.07432e+03   -2.70995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38829e+03    1.04681e+05    2.79079e+05   -1.71772e+04   -2.15478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20495e+04   -1.73536e+06    3.46890e+05   -1.38847e+06   -6.99850e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11320e+02   -2.11694e+02   -1.27062e+02    3.79650e-06

           Step           Time
      233475000   466950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54834e+03    1.80670e+04    1.22280e+04    1.04959e+03   -2.81128e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49021e+03    1.04930e+05    2.81403e+05   -1.71606e+04   -2.15728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19142e+04   -1.73562e+06    3.47124e+05   -1.38850e+06   -6.98600e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11530e+02   -2.11285e+02    1.03982e+00    3.42283e-06

           Step           Time
      233480000   466960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44943e+03    1.82771e+04    1.21837e+04    1.06185e+03   -2.87709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38139e+03    1.04761e+05    2.81884e+05   -1.71823e+04   -2.16012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19818e+04   -1.73820e+06    3.47388e+05   -1.39082e+06   -6.94500e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11767e+02   -2.11819e+02   -2.99302e+01    3.59548e-06

           Step           Time
      233485000   466970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27107e+03    1.82173e+04    1.23909e+04    1.15750e+03   -2.84909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66173e+03    1.04410e+05    2.78382e+05   -1.72019e+04   -2.15457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19545e+04   -1.73617e+06    3.47717e+05   -1.38846e+06   -6.96200e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12062e+02   -2.12302e+02   -5.52977e+01    3.57498e-06

           Step           Time
      233490000   466980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43514e+03    1.84070e+04    1.21735e+04    1.08550e+03   -2.85430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48657e+03    1.04778e+05    2.80974e+05   -1.71824e+04   -2.15660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20547e+04   -1.73524e+06    3.47284e+05   -1.38796e+06   -6.89400e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11674e+02   -2.11823e+02   -1.87629e+01    3.40856e-06

           Step           Time
      233495000   466990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68150e+03    1.81404e+04    1.23712e+04    9.92620e+02   -2.80335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39007e+03    1.03904e+05    2.79364e+05   -1.71798e+04   -2.15462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19739e+04   -1.73578e+06    3.48568e+05   -1.38721e+06   -6.89750e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12827e+02   -2.11758e+02   -1.43426e+02    3.64330e-06

           Step           Time
      233500000   467000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59434e+03    1.81615e+04    1.24538e+04    1.12832e+03   -2.87067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47174e+03    1.04638e+05    2.80726e+05   -1.72171e+04   -2.15678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18963e+04   -1.73580e+06    3.45259e+05   -1.39054e+06   -6.81162e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09857e+02   -2.12677e+02    4.21421e+01    3.62892e-06

           Step           Time
      233505000   467010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56718e+03    1.83767e+04    1.24875e+04    1.07561e+03   -2.99935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43514e+03    1.04621e+05    2.84790e+05   -1.72363e+04   -2.16282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18713e+04   -1.73783e+06    3.47123e+05   -1.39071e+06   -6.79912e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11529e+02   -2.13152e+02    1.66128e+02    3.55734e-06

           Step           Time
      233510000   467020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55397e+03    1.81961e+04    1.25464e+04    1.07851e+03   -2.90380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44244e+03    1.04101e+05    2.80983e+05   -1.71835e+04   -2.15606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20557e+04   -1.73519e+06    3.45579e+05   -1.38961e+06   -6.74562e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10143e+02   -2.11848e+02    1.38151e+01    3.51169e-06

           Step           Time
      233515000   467030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29024e+03    1.76086e+04    1.24587e+04    1.03331e+03   -2.83831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36838e+03    1.04723e+05    2.81604e+05   -1.72199e+04   -2.15809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20710e+04   -1.73699e+06    3.45847e+05   -1.39114e+06   -6.76138e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10385e+02   -2.12747e+02    8.61501e+01    3.56683e-06

           Step           Time
      233520000   467040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66628e+03    1.79888e+04    1.22653e+04    1.11178e+03   -2.82418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37675e+03    1.04808e+05    2.82407e+05   -1.71891e+04   -2.15845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19266e+04   -1.73591e+06    3.48484e+05   -1.38742e+06   -6.71525e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12751e+02   -2.11986e+02    4.16908e+01    3.50292e-06

           Step           Time
      233525000   467050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49563e+03    1.83038e+04    1.24560e+04    1.09288e+03   -2.91511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41384e+03    1.04521e+05    2.79618e+05   -1.71746e+04   -2.15363e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23331e+04   -1.73348e+06    3.46003e+05   -1.38748e+06   -6.67488e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10524e+02   -2.11630e+02   -6.01233e+01    3.58328e-06

           Step           Time
      233530000   467060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38917e+03    1.83247e+04    1.24214e+04    1.12523e+03   -2.86952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38361e+03    1.04662e+05    2.82228e+05   -1.72038e+04   -2.15696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19923e+04   -1.73451e+06    3.47420e+05   -1.38709e+06   -6.61962e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11796e+02   -2.12350e+02    1.07115e+02    3.42090e-06

           Step           Time
      233535000   467070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51085e+03    1.84986e+04    1.22152e+04    1.20589e+03   -2.94138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38742e+03    1.04341e+05    2.83023e+05   -1.72152e+04   -2.15894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19606e+04   -1.73596e+06    3.45072e+05   -1.39088e+06   -6.55738e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09689e+02   -2.12631e+02    1.34625e+02    3.60119e-06

           Step           Time
      233540000   467080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65346e+03    1.81717e+04    1.25422e+04    1.19533e+03   -2.93329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45361e+03    1.04513e+05    2.80832e+05   -1.71553e+04   -2.15551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21691e+04   -1.73406e+06    3.47143e+05   -1.38692e+06   -6.56725e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11547e+02   -2.11156e+02   -2.73216e+01    3.49584e-06

           Step           Time
      233545000   467090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39951e+03    1.82747e+04    1.24867e+04    1.08636e+03   -2.88509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47134e+03    1.04864e+05    2.79508e+05   -1.71828e+04   -2.15443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19699e+04   -1.73444e+06    3.48632e+05   -1.38581e+06   -6.56525e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12883e+02   -2.11832e+02    2.69221e+00    3.65642e-06

           Step           Time
      233550000   467100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51628e+03    1.81758e+04    1.22361e+04    1.01366e+03   -2.88606e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48101e+03    1.04149e+05    2.82625e+05   -1.72279e+04   -2.15766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19246e+04   -1.73566e+06    3.45939e+05   -1.38972e+06   -6.48562e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10467e+02   -2.12944e+02    7.16814e+01    3.50971e-06

           Step           Time
      233555000   467110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85014e+03    1.79974e+04    1.24872e+04    1.09444e+03   -2.98183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48955e+03    1.04587e+05    2.77017e+05   -1.71649e+04   -2.14896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20963e+04   -1.73149e+06    3.47454e+05   -1.38404e+06   -6.49900e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11827e+02   -2.11391e+02   -1.96292e+02    3.64851e-06

           Step           Time
      233560000   467120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43073e+03    1.79535e+04    1.23733e+04    1.06719e+03   -2.84210e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42166e+03    1.04596e+05    2.79649e+05   -1.72059e+04   -2.15519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21646e+04   -1.73558e+06    3.46092e+05   -1.38949e+06   -6.43150e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10604e+02   -2.12400e+02   -3.60273e+01    3.68643e-06

           Step           Time
      233565000   467130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50951e+03    1.80993e+04    1.24524e+04    1.12086e+03   -2.83512e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44764e+03    1.04623e+05    2.79397e+05   -1.71753e+04   -2.15506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18331e+04   -1.73558e+06    3.48087e+05   -1.38750e+06   -6.45262e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12394e+02   -2.11646e+02   -1.69397e+02    3.64110e-06

           Step           Time
      233570000   467140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46362e+03    1.79589e+04    1.22771e+04    1.07640e+03   -2.83184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42936e+03    1.04816e+05    2.79839e+05   -1.71955e+04   -2.15551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19792e+04   -1.73570e+06    3.46622e+05   -1.38907e+06   -6.39825e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11080e+02   -2.12145e+02   -1.39875e+01    3.50956e-06

           Step           Time
      233575000   467150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56498e+03    1.84956e+04    1.23337e+04    1.15346e+03   -2.90148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51876e+03    1.04248e+05    2.82348e+05   -1.71709e+04   -2.15667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18920e+04   -1.73418e+06    3.47436e+05   -1.38675e+06   -6.31362e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11810e+02   -2.11539e+02    8.03974e+01    3.57097e-06

           Step           Time
      233580000   467160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46226e+03    1.80418e+04    1.23399e+04    1.02760e+03   -2.90258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57704e+03    1.04959e+05    2.80203e+05   -1.71938e+04   -2.15482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20965e+04   -1.73421e+06    3.45544e+05   -1.38867e+06   -6.29100e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10113e+02   -2.12104e+02    3.07198e+01    3.62991e-06

           Step           Time
      233585000   467170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60957e+03    1.82003e+04    1.23901e+04    1.01650e+03   -2.78679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33739e+03    1.04195e+05    2.79214e+05   -1.71755e+04   -2.15323e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21408e+04   -1.73409e+06    3.46811e+05   -1.38728e+06   -6.27712e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11250e+02   -2.11651e+02   -1.54775e+02    3.63268e-06

           Step           Time
      233590000   467180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46216e+03    1.81504e+04    1.22189e+04    1.09033e+03   -2.82545e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36917e+03    1.04426e+05    2.81744e+05   -1.71820e+04   -2.15736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19300e+04   -1.73598e+06    3.45177e+05   -1.39080e+06   -6.21488e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09783e+02   -2.11812e+02   -4.63535e+01    3.48679e-06

           Step           Time
      233595000   467190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47683e+03    1.80804e+04    1.23161e+04    1.07945e+03   -2.96490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55844e+03    1.04482e+05    2.81696e+05   -1.71496e+04   -2.15549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21788e+04   -1.73374e+06    3.47290e+05   -1.38645e+06   -6.24012e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11679e+02   -2.11014e+02    7.64989e+01    3.65573e-06

           Step           Time
      233600000   467200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58088e+03    1.79119e+04    1.25430e+04    1.13068e+03   -2.84185e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48374e+03    1.04272e+05    2.81007e+05   -1.71587e+04   -2.15442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20053e+04   -1.73348e+06    3.44792e+05   -1.38869e+06   -6.19938e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09437e+02   -2.11238e+02    2.40219e+01    3.65352e-06

           Step           Time
      233605000   467210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.22109e+03    1.85615e+04    1.22279e+04    1.11444e+03   -2.78569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46952e+03    1.04208e+05    2.83411e+05   -1.72016e+04   -2.16006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21580e+04   -1.73668e+06    3.47163e+05   -1.38952e+06   -6.15588e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11565e+02   -2.12295e+02    1.42507e+02    3.59803e-06

           Step           Time
      233610000   467220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47321e+03    1.80673e+04    1.23827e+04    1.11372e+03   -2.95567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35629e+03    1.04513e+05    2.80913e+05   -1.71527e+04   -2.15685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19433e+04   -1.73620e+06    3.46699e+05   -1.38950e+06   -6.17738e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11149e+02   -2.11091e+02   -6.69292e+01    3.37892e-06

           Step           Time
      233615000   467230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56989e+03    1.79327e+04    1.24645e+04    1.09502e+03   -2.89498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42792e+03    1.04184e+05    2.81496e+05   -1.72332e+04   -2.15911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20531e+04   -1.73801e+06    3.46648e+05   -1.39136e+06   -6.08862e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11103e+02   -2.13075e+02    4.57108e+01    3.39233e-06

           Step           Time
      233620000   467240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46980e+03    1.81854e+04    1.24517e+04    1.04634e+03   -2.87394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48832e+03    1.04501e+05    2.81122e+05   -1.71788e+04   -2.15606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20386e+04   -1.73481e+06    3.45660e+05   -1.38915e+06   -6.06775e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10216e+02   -2.11732e+02   -3.25559e+01    3.46925e-06

           Step           Time
      233625000   467250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44827e+03    1.80102e+04    1.23035e+04    1.05486e+03   -2.80951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60477e+03    1.04307e+05    2.81856e+05   -1.71890e+04   -2.15900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.16616e+04   -1.73776e+06    3.45180e+05   -1.39258e+06   -6.02450e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09786e+02   -2.11984e+02   -4.46141e+01    3.54516e-06

           Step           Time
      233630000   467260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59525e+03    1.78187e+04    1.21815e+04    1.08275e+03   -2.81028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50353e+03    1.03678e+05    2.81820e+05   -1.72044e+04   -2.15968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17987e+04   -1.73922e+06    3.45288e+05   -1.39393e+06   -5.99112e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09883e+02   -2.12363e+02    1.30239e+01    3.63645e-06

           Step           Time
      233635000   467270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59335e+03    1.80116e+04    1.24189e+04    1.10997e+03   -2.74480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47452e+03    1.03710e+05    2.82836e+05   -1.72102e+04   -2.15936e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18142e+04   -1.73735e+06    3.46383e+05   -1.39097e+06   -5.92838e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10866e+02   -2.12508e+02    7.21609e+01    3.62994e-06

           Step           Time
      233640000   467280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48829e+03    1.82814e+04    1.23841e+04    1.08883e+03   -2.91985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49911e+03    1.03997e+05    2.81259e+05   -1.71236e+04   -2.15243e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21945e+04   -1.73129e+06    3.44681e+05   -1.38661e+06   -5.87988e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09338e+02   -2.10376e+02    3.16031e+01    3.64396e-06

           Step           Time
      233645000   467290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37801e+03    1.83383e+04    1.21302e+04    1.06841e+03   -2.86125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47262e+03    1.04254e+05    2.80480e+05   -1.71831e+04   -2.15478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19802e+04   -1.73472e+06    3.44961e+05   -1.38976e+06   -5.87825e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09590e+02   -2.11838e+02    5.21454e+01    3.38029e-06

           Step           Time
      233650000   467300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46331e+03    1.83160e+04    1.21872e+04    1.10749e+03   -2.76470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41849e+03    1.04910e+05    2.77135e+05   -1.71991e+04   -2.15244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20044e+04   -1.73487e+06    3.46267e+05   -1.38860e+06   -5.77738e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10761e+02   -2.12234e+02   -1.60703e+02    3.58005e-06

           Step           Time
      233655000   467310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45034e+03    1.81350e+04    1.24300e+04    1.02355e+03   -2.87528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42091e+03    1.04561e+05    2.79276e+05   -1.72048e+04   -2.15704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19380e+04   -1.73788e+06    3.46883e+05   -1.39100e+06   -5.75300e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11314e+02   -2.12374e+02   -1.20360e+02    3.50468e-06

           Step           Time
      233660000   467320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35658e+03    1.81398e+04    1.21119e+04    1.09833e+03   -2.92848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57923e+03    1.04622e+05    2.82057e+05   -1.72022e+04   -2.15862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19185e+04   -1.73687e+06    3.46682e+05   -1.39019e+06   -5.74762e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11133e+02   -2.12310e+02    6.87469e+01    3.56471e-06

           Step           Time
      233665000   467330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44593e+03    1.82589e+04    1.22698e+04    1.03914e+03   -2.84565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47038e+03    1.04492e+05    2.82412e+05   -1.72018e+04   -2.15797e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19127e+04   -1.73572e+06    3.47536e+05   -1.38818e+06   -5.71062e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11900e+02   -2.12299e+02    1.01965e+02    3.54537e-06

           Step           Time
      233670000   467340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46353e+03    1.80232e+04    1.23546e+04    1.06678e+03   -2.84432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38284e+03    1.04530e+05    2.81662e+05   -1.72189e+04   -2.15817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18684e+04   -1.73688e+06    3.47509e+05   -1.38937e+06   -5.68900e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11876e+02   -2.12722e+02   -2.33688e+00    3.56094e-06

           Step           Time
      233675000   467350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58919e+03    1.82249e+04    1.23187e+04    1.10229e+03   -2.87367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53583e+03    1.04370e+05    2.79531e+05   -1.71667e+04   -2.15338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21270e+04   -1.73362e+06    3.46336e+05   -1.38728e+06   -5.61212e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10823e+02   -2.11435e+02   -3.91047e+01    3.48363e-06

           Step           Time
      233680000   467360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47621e+03    1.77896e+04    1.21934e+04    1.09514e+03   -2.74162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61200e+03    1.04510e+05    2.81574e+05   -1.71776e+04   -2.15579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21131e+04   -1.73435e+06    3.45390e+05   -1.38896e+06   -5.66088e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09974e+02   -2.11704e+02    7.29963e+01    3.65628e-06

           Step           Time
      233685000   467370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54554e+03    1.83550e+04    1.23799e+04    1.13403e+03   -2.80518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58273e+03    1.04420e+05    2.77672e+05   -1.71299e+04   -2.14828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20931e+04   -1.73003e+06    3.47604e+05   -1.38243e+06   -5.61225e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11961e+02   -2.10531e+02   -1.21168e+02    3.58829e-06

           Step           Time
      233690000   467380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49067e+03    1.79627e+04    1.23972e+04    1.09599e+03   -2.83859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39781e+03    1.04586e+05    2.80841e+05   -1.71875e+04   -2.15538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20832e+04   -1.73455e+06    3.45734e+05   -1.38882e+06   -5.56625e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10283e+02   -2.11948e+02   -2.57334e+01    3.54065e-06

           Step           Time
      233695000   467390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51728e+03    1.83627e+04    1.24394e+04    1.07412e+03   -2.80030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44460e+03    1.04055e+05    2.80866e+05   -1.72275e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20524e+04   -1.73628e+06    3.46716e+05   -1.38956e+06   -5.52112e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11165e+02   -2.12933e+02   -1.31854e+00    3.39888e-06

           Step           Time
      233700000   467400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25560e+03    1.82727e+04    1.24345e+04    1.08756e+03   -2.86617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45975e+03    1.04233e+05    2.82270e+05   -1.72187e+04   -2.15781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18367e+04   -1.73605e+06    3.46050e+05   -1.39000e+06   -5.48388e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10567e+02   -2.12716e+02    6.34985e+01    3.62438e-06

           Step           Time
      233705000   467410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56260e+03    1.77473e+04    1.24875e+04    1.05459e+03   -2.79322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47063e+03    1.04222e+05    2.81126e+05   -1.72322e+04   -2.15981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19670e+04   -1.73920e+06    3.45665e+05   -1.39354e+06   -5.44350e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10221e+02   -2.13049e+02   -2.32742e+00    3.44470e-06

           Step           Time
      233710000   467420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51365e+03    1.81423e+04    1.22441e+04    1.04652e+03   -2.78832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55982e+03    1.04178e+05    2.83135e+05   -1.71889e+04   -2.16006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20910e+04   -1.73713e+06    3.46796e+05   -1.39033e+06   -5.38912e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11236e+02   -2.11981e+02    1.16413e+02    3.43647e-06

           Step           Time
      233715000   467430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75430e+03    1.82562e+04    1.23153e+04    1.10859e+03   -2.74966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53149e+03    1.04236e+05    2.84179e+05   -1.72007e+04   -2.15924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21576e+04   -1.73466e+06    3.46525e+05   -1.38813e+06   -5.35512e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10993e+02   -2.12273e+02    1.60194e+02    3.60892e-06

           Step           Time
      233720000   467440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33977e+03    1.86181e+04    1.23225e+04    1.02005e+03   -2.87904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56800e+03    1.04016e+05    2.82120e+05   -1.72123e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19511e+04   -1.73519e+06    3.45416e+05   -1.38978e+06   -5.32862e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09997e+02   -2.12559e+02    5.72920e+01    3.60866e-06

           Step           Time
      233725000   467450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64523e+03    1.87210e+04    1.24221e+04    1.14480e+03   -2.94869e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40130e+03    1.03926e+05    2.80238e+05   -1.72185e+04   -2.15685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19514e+04   -1.73656e+06    3.48315e+05   -1.38825e+06   -5.34388e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12599e+02   -2.12710e+02   -1.72590e+01    3.40790e-06

           Step           Time
      233730000   467460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80637e+03    1.81359e+04    1.24144e+04    1.13865e+03   -2.79487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46078e+03    1.04150e+05    2.78749e+05   -1.72046e+04   -2.15171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20942e+04   -1.73276e+06    3.46439e+05   -1.38632e+06   -5.29688e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10915e+02   -2.12368e+02   -1.83828e+01    3.43143e-06

           Step           Time
      233735000   467470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66898e+03    1.80607e+04    1.24893e+04    1.15242e+03   -2.72474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43755e+03    1.04460e+05    2.79044e+05   -1.71821e+04   -2.15384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20240e+04   -1.73441e+06    3.45928e+05   -1.38849e+06   -5.26125e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10457e+02   -2.11815e+02   -9.77597e+01    3.60483e-06

           Step           Time
      233740000   467480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53191e+03    1.80807e+04    1.23710e+04    1.02496e+03   -2.86516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59386e+03    1.04487e+05    2.80837e+05   -1.71869e+04   -2.15686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20847e+04   -1.73590e+06    3.46600e+05   -1.38930e+06   -5.26525e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11060e+02   -2.11933e+02   -1.57947e+00    3.40248e-06

           Step           Time
      233745000   467490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68415e+03    1.83096e+04    1.22685e+04    1.08560e+03   -2.91115e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35027e+03    1.04161e+05    2.79536e+05   -1.72035e+04   -2.15286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19146e+04   -1.73366e+06    3.47175e+05   -1.38649e+06   -5.23600e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11576e+02   -2.12341e+02   -4.98556e+01    3.58555e-06

           Step           Time
      233750000   467500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68776e+03    1.80483e+04    1.23092e+04    1.00563e+03   -2.75787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36384e+03    1.03891e+05    2.79120e+05   -1.72651e+04   -2.15490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18309e+04   -1.73667e+06    3.48456e+05   -1.38821e+06   -5.21338e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12726e+02   -2.13863e+02   -3.73748e+01    3.53860e-06

Writing checkpoint, step 233754500 at Fri Dec  1 23:08:07 2023


           Step           Time
      233755000   467510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55033e+03    1.81590e+04    1.23116e+04    1.08473e+03   -2.86280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54456e+03    1.04536e+05    2.79911e+05   -1.71625e+04   -2.15412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21174e+04   -1.73393e+06    3.45446e+05   -1.38848e+06   -5.15062e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10025e+02   -2.11332e+02   -6.25234e+01    3.54037e-06

           Step           Time
      233760000   467520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84176e+03    1.84583e+04    1.22014e+04    1.09049e+03   -2.76636e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52475e+03    1.04845e+05    2.80456e+05   -1.71896e+04   -2.15435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19561e+04   -1.73294e+06    3.48539e+05   -1.38440e+06   -5.08475e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12800e+02   -2.11999e+02    3.10386e+01    3.62495e-06

           Step           Time
      233765000   467530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54648e+03    1.80369e+04    1.23288e+04    1.03925e+03   -2.83289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49476e+03    1.04882e+05    2.82643e+05   -1.72346e+04   -2.15988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22718e+04   -1.73671e+06    3.44885e+05   -1.39182e+06   -5.07125e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09521e+02   -2.13109e+02    7.73930e+01    3.57413e-06

           Step           Time
      233770000   467540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53675e+03    1.82235e+04    1.21720e+04    1.10267e+03   -2.78800e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54818e+03    1.04891e+05    2.81579e+05   -1.71862e+04   -2.15725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20359e+04   -1.73514e+06    3.47141e+05   -1.38800e+06   -5.07912e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11546e+02   -2.11915e+02    1.25188e+02    3.56745e-06

           Step           Time
      233775000   467550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82734e+03    1.85217e+04    1.22388e+04    1.03466e+03   -2.83385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54621e+03    1.04126e+05    2.81264e+05   -1.72025e+04   -2.15702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18921e+04   -1.73561e+06    3.45304e+05   -1.39030e+06   -4.97825e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09897e+02   -2.12317e+02    2.71197e+01    3.58852e-06

           Step           Time
      233780000   467560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34789e+03    1.83290e+04    1.23650e+04    1.07310e+03   -2.88561e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48751e+03    1.04141e+05    2.81673e+05   -1.71378e+04   -2.15644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21678e+04   -1.73488e+06    3.45702e+05   -1.38918e+06   -4.95962e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10254e+02   -2.10726e+02   -1.98406e+01    3.60712e-06

           Step           Time
      233785000   467570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44771e+03    1.84591e+04    1.23625e+04    1.06799e+03   -2.78410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55172e+03    1.04016e+05    2.81747e+05   -1.72249e+04   -2.15799e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19400e+04   -1.73641e+06    3.46665e+05   -1.38974e+06   -4.92512e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11119e+02   -2.12868e+02    9.25387e+01    3.54288e-06

           Step           Time
      233790000   467580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59965e+03    1.82282e+04    1.22953e+04    1.01083e+03   -2.88206e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50769e+03    1.04435e+05    2.80155e+05   -1.71924e+04   -2.15402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20928e+04   -1.73377e+06    3.47817e+05   -1.38595e+06   -4.92900e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12152e+02   -2.12068e+02    4.02886e+01    3.56126e-06

           Step           Time
      233795000   467590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34905e+03    1.80118e+04    1.24522e+04    1.09899e+03   -2.75616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48660e+03    1.04638e+05    2.81391e+05   -1.71877e+04   -2.15629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19539e+04   -1.73485e+06    3.46145e+05   -1.38871e+06   -4.86125e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10651e+02   -2.11953e+02    5.67901e+01    3.51999e-06

           Step           Time
      233800000   467600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53904e+03    1.82168e+04    1.21900e+04    1.06218e+03   -2.79408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39615e+03    1.04243e+05    2.80082e+05   -1.71737e+04   -2.15775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20882e+04   -1.73790e+06    3.47119e+05   -1.39079e+06   -4.82912e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11526e+02   -2.11608e+02   -6.75300e+01    3.48694e-06

           Step           Time
      233805000   467610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48637e+03    1.81954e+04    1.23517e+04    1.16475e+03   -2.77081e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48265e+03    1.03801e+05    2.80197e+05   -1.71642e+04   -2.15473e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18498e+04   -1.73514e+06    3.45684e+05   -1.38946e+06   -4.81362e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10238e+02   -2.11373e+02   -3.67126e+01    3.70574e-06

           Step           Time
      233810000   467620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52712e+03    1.82316e+04    1.24028e+04    1.08204e+03   -2.87628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50289e+03    1.03446e+05    2.80014e+05   -1.71896e+04   -2.15437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21452e+04   -1.73509e+06    3.46184e+05   -1.38890e+06   -4.79275e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10687e+02   -2.11998e+02    6.42488e+00    3.57815e-06

           Step           Time
      233815000   467630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65334e+03    1.84167e+04    1.23959e+04    1.05383e+03   -2.86443e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52256e+03    1.04096e+05    2.80254e+05   -1.71885e+04   -2.15494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18427e+04   -1.73476e+06    3.47792e+05   -1.38697e+06   -4.73325e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12129e+02   -2.11971e+02   -1.95303e+01    3.43587e-06

           Step           Time
      233820000   467640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37493e+03    1.79914e+04    1.24824e+04    1.13238e+03   -3.00320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57563e+03    1.04189e+05    2.80320e+05   -1.71736e+04   -2.15332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20861e+04   -1.73334e+06    3.45791e+05   -1.38755e+06   -4.71988e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10334e+02   -2.11606e+02   -8.40619e+00    3.41932e-06

           Step           Time
      233825000   467650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50689e+03    1.84352e+04    1.22834e+04    1.09978e+03   -2.88421e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52042e+03    1.03730e+05    2.78502e+05   -1.71822e+04   -2.15048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20722e+04   -1.73240e+06    3.45926e+05   -1.38647e+06   -4.67838e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10456e+02   -2.11817e+02   -5.73791e+01    3.65315e-06

           Step           Time
      233830000   467660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67696e+03    1.80245e+04    1.23654e+04    1.05655e+03   -3.02138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50325e+03    1.03849e+05    2.80643e+05   -1.71632e+04   -2.15570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20234e+04   -1.73574e+06    3.45679e+05   -1.39006e+06   -4.65188e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10234e+02   -2.11350e+02   -1.87435e+01    3.59903e-06

           Step           Time
      233835000   467670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44325e+03    1.79916e+04    1.22753e+04    1.09740e+03   -2.83993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54151e+03    1.03766e+05    2.79477e+05   -1.71969e+04   -2.15469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21073e+04   -1.73602e+06    3.46449e+05   -1.38957e+06   -4.63550e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10925e+02   -2.12178e+02   -7.77778e+01    3.76268e-06

           Step           Time
      233840000   467680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60134e+03    1.82438e+04    1.23269e+04    1.03972e+03   -2.88487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41961e+03    1.03952e+05    2.81041e+05   -1.72293e+04   -2.15455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18842e+04   -1.73415e+06    3.44664e+05   -1.38949e+06   -4.60575e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09323e+02   -2.12978e+02    9.56496e+00    3.62457e-06

           Step           Time
      233845000   467690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63120e+03    1.80837e+04    1.24729e+04    1.06648e+03   -2.96657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44428e+03    1.03780e+05    2.79715e+05   -1.71837e+04   -2.15509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21245e+04   -1.73593e+06    3.46253e+05   -1.38967e+06   -4.59075e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10749e+02   -2.11854e+02   -9.78888e+01    3.52299e-06

           Step           Time
      233850000   467700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72063e+03    1.83900e+04    1.24050e+04    1.05425e+03   -2.92438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50474e+03    1.04030e+05    2.79619e+05   -1.71841e+04   -2.15334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21366e+04   -1.73359e+06    3.46367e+05   -1.38722e+06   -4.51350e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10851e+02   -2.11864e+02    2.16281e+01    3.46854e-06

           Step           Time
      233855000   467710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36842e+03    1.83620e+04    1.22512e+04    1.08585e+03   -2.89162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47219e+03    1.04596e+05    2.78340e+05   -1.71748e+04   -2.15338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19503e+04   -1.73502e+06    3.45354e+05   -1.38967e+06   -4.45812e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09941e+02   -2.11635e+02   -9.16882e+01    3.56074e-06

           Step           Time
      233860000   467720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37599e+03    1.81399e+04    1.22427e+04    1.09989e+03   -2.84219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50709e+03    1.03756e+05    2.82706e+05   -1.71988e+04   -2.15737e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20101e+04   -1.73558e+06    3.44636e+05   -1.39094e+06   -4.48188e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09298e+02   -2.12225e+02    6.72203e+01    3.62396e-06

           Step           Time
      233865000   467730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55429e+03    1.81252e+04    1.24119e+04    1.10253e+03   -2.96457e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48083e+03    1.03932e+05    2.82094e+05   -1.72066e+04   -2.15691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19341e+04   -1.73544e+06    3.47634e+05   -1.38781e+06   -4.46900e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11988e+02   -2.12418e+02    6.69720e+01    3.56911e-06

           Step           Time
      233870000   467740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60335e+03    1.85101e+04    1.23165e+04    1.04344e+03   -2.84425e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44800e+03    1.03838e+05    2.80408e+05   -1.72197e+04   -2.15255e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21100e+04   -1.73234e+06    3.47993e+05   -1.38434e+06   -4.45800e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12311e+02   -2.12742e+02    7.92771e+01    3.66786e-06

           Step           Time
      233875000   467750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65304e+03    1.82649e+04    1.23296e+04    1.01925e+03   -2.87196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40796e+03    1.03979e+05    2.78557e+05   -1.71616e+04   -2.15282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21663e+04   -1.73447e+06    3.45269e+05   -1.38920e+06   -4.38012e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09866e+02   -2.11311e+02   -1.81307e+02    3.45520e-06

           Step           Time
      233880000   467760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48677e+03    1.83736e+04    1.24464e+04    1.13945e+03   -2.96489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47883e+03    1.04409e+05    2.83578e+05   -1.72083e+04   -2.15862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22254e+04   -1.73465e+06    3.46729e+05   -1.38793e+06   -4.37200e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11176e+02   -2.12460e+02    1.58259e+02    3.68067e-06

           Step           Time
      233885000   467770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83992e+03    1.78404e+04    1.24598e+04    1.15496e+03   -2.83606e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37378e+03    1.03608e+05    2.79467e+05   -1.71963e+04   -2.15450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20136e+04   -1.73577e+06    3.46655e+05   -1.38912e+06   -4.35862e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11109e+02   -2.12163e+02   -1.08750e+02    3.69414e-06

           Step           Time
      233890000   467780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43105e+03    1.77215e+04    1.23803e+04    1.09707e+03   -2.82259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41032e+03    1.04581e+05    2.82454e+05   -1.71643e+04   -2.15773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22363e+04   -1.73541e+06    3.45022e+05   -1.39039e+06   -4.31888e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09644e+02   -2.11376e+02   -7.95428e+00    3.50364e-06

           Step           Time
      233895000   467790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53152e+03    1.79097e+04    1.23937e+04    1.18215e+03   -2.88600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45471e+03    1.04203e+05    2.82346e+05   -1.72504e+04   -2.15784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20884e+04   -1.73587e+06    3.46377e+05   -1.38949e+06   -4.30062e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10860e+02   -2.13500e+02    5.35497e+01    3.51319e-06

           Step           Time
      233900000   467800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44472e+03    1.84355e+04    1.23566e+04    1.08273e+03   -2.75833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43896e+03    1.04439e+05    2.81603e+05   -1.72475e+04   -2.15728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20576e+04   -1.73543e+06    3.47519e+05   -1.38791e+06   -4.22900e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11885e+02   -2.13427e+02    4.72505e+01    3.48749e-06

           Step           Time
      233905000   467810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51844e+03    1.81132e+04    1.24480e+04    1.07027e+03   -2.86238e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54307e+03    1.04348e+05    2.79674e+05   -1.72119e+04   -2.15301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20281e+04   -1.73334e+06    3.46074e+05   -1.38726e+06   -4.23875e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10588e+02   -2.12548e+02    5.84394e+01    3.58449e-06

           Step           Time
      233910000   467820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32046e+03    1.80638e+04    1.24977e+04    1.00757e+03   -2.78116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61359e+03    1.04449e+05    2.79243e+05   -1.71706e+04   -2.15453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18987e+04   -1.73539e+06    3.46487e+05   -1.38891e+06   -4.22325e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10959e+02   -2.11531e+02   -6.97370e+01    3.50113e-06

           Step           Time
      233915000   467830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60084e+03    1.82912e+04    1.25626e+04    1.12182e+03   -2.84068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46071e+03    1.04256e+05    2.78368e+05   -1.71857e+04   -2.15312e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20528e+04   -1.73443e+06    3.47897e+05   -1.38654e+06   -4.15588e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12224e+02   -2.11903e+02   -9.61627e+01    3.62099e-06

           Step           Time
      233920000   467840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46594e+03    1.84884e+04    1.23078e+04    1.01657e+03   -2.81396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51277e+03    1.04177e+05    2.80943e+05   -1.71766e+04   -2.15495e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19202e+04   -1.73411e+06    3.46774e+05   -1.38733e+06   -4.11150e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11216e+02   -2.11680e+02   -2.69156e+00    3.59135e-06

           Step           Time
      233925000   467850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46705e+03    1.81445e+04    1.24412e+04    1.08491e+03   -2.97176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46621e+03    1.03800e+05    2.80646e+05   -1.71779e+04   -2.15497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21144e+04   -1.73496e+06    3.46115e+05   -1.38884e+06   -4.07275e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10625e+02   -2.11711e+02    2.95745e+01    3.60735e-06

           Step           Time
      233930000   467860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52514e+03    1.82441e+04    1.23467e+04    1.02476e+03   -2.86968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46399e+03    1.04277e+05    2.81997e+05   -1.72064e+04   -2.15827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17646e+04   -1.73670e+06    3.47670e+05   -1.38903e+06   -4.04912e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12020e+02   -2.12413e+02   -1.52067e-01    3.54377e-06

           Step           Time
      233935000   467870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49321e+03    1.83210e+04    1.23146e+04    1.05283e+03   -2.92821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37694e+03    1.04339e+05    2.79166e+05   -1.71247e+04   -2.15304e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19970e+04   -1.73403e+06    3.47697e+05   -1.38634e+06   -4.02825e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12044e+02   -2.10403e+02   -8.79247e+01    3.50938e-06

           Step           Time
      233940000   467880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84887e+03    1.81958e+04    1.23083e+04    1.08951e+03   -2.86953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40314e+03    1.03934e+05    2.79957e+05   -1.71787e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20700e+04   -1.73580e+06    3.45887e+05   -1.38992e+06   -3.95688e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10420e+02   -2.11730e+02   -1.06380e+02    3.41659e-06

           Step           Time
      233945000   467890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73263e+03    1.81608e+04    1.23345e+04    1.04407e+03   -2.92900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48590e+03    1.04304e+05    2.79792e+05   -1.71597e+04   -2.15489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19925e+04   -1.73513e+06    3.47219e+05   -1.38791e+06   -3.93338e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11615e+02   -2.11263e+02   -1.16336e+02    3.57037e-06

           Step           Time
      233950000   467900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43431e+03    1.84744e+04    1.22827e+04    1.02959e+03   -2.71750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68472e+03    1.04092e+05    2.81131e+05   -1.72248e+04   -2.15668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20184e+04   -1.73548e+06    3.46258e+05   -1.38922e+06   -3.86262e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10753e+02   -2.12867e+02    8.27151e+01    3.52020e-06

           Step           Time
      233955000   467910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36296e+03    1.80933e+04    1.24387e+04    1.07793e+03   -2.82486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54902e+03    1.03870e+05    2.77893e+05   -1.71957e+04   -2.15207e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19672e+04   -1.73484e+06    3.45559e+05   -1.38928e+06   -3.91362e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10126e+02   -2.12149e+02   -9.43534e+01    3.66228e-06

           Step           Time
      233960000   467920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49851e+03    1.84552e+04    1.25383e+04    1.06670e+03   -3.00887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68911e+03    1.03564e+05    2.77838e+05   -1.71695e+04   -2.15029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22654e+04   -1.73255e+06    3.47731e+05   -1.38482e+06   -3.87650e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12075e+02   -2.11505e+02   -6.69729e+01    3.35681e-06

           Step           Time
      233965000   467930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67259e+03    1.82568e+04    1.23330e+04    1.10907e+03   -2.90416e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56805e+03    1.03725e+05    2.82245e+05   -1.72098e+04   -2.15816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19415e+04   -1.73642e+06    3.48007e+05   -1.38842e+06   -3.85638e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12322e+02   -2.12497e+02    5.38427e+01    3.47371e-06

           Step           Time
      233970000   467940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68819e+03    1.81489e+04    1.24229e+04    1.07625e+03   -2.76526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49082e+03    1.04706e+05    2.79427e+05   -1.71863e+04   -2.15066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20753e+04   -1.73058e+06    3.46315e+05   -1.38426e+06   -3.82712e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10805e+02   -2.11918e+02   -1.07876e+01    3.70403e-06

           Step           Time
      233975000   467950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23761e+03    1.81392e+04    1.22769e+04    1.12119e+03   -2.82697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50907e+03    1.04074e+05    2.78518e+05   -1.71824e+04   -2.15281e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20999e+04   -1.73484e+06    3.44918e+05   -1.38993e+06   -3.78312e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09550e+02   -2.11821e+02   -1.56157e+01    3.39119e-06

           Step           Time
      233980000   467960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57489e+03    1.87040e+04    1.22235e+04    1.04398e+03   -2.76453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44986e+03    1.04068e+05    2.77681e+05   -1.71632e+04   -2.15029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18886e+04   -1.73259e+06    3.46513e+05   -1.38607e+06   -3.77400e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10982e+02   -2.11350e+02   -1.05365e+02    3.56955e-06

           Step           Time
      233985000   467970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60866e+03    1.80016e+04    1.24663e+04    1.06997e+03   -2.85982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54459e+03    1.03852e+05    2.81801e+05   -1.72163e+04   -2.15827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19919e+04   -1.73701e+06    3.47641e+05   -1.38937e+06   -3.77300e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11994e+02   -2.12657e+02    4.77276e+00    3.43086e-06

           Step           Time
      233990000   467980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50688e+03    1.81404e+04    1.23433e+04    1.07808e+03   -2.93794e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55781e+03    1.04258e+05    2.82075e+05   -1.71908e+04   -2.15814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19429e+04   -1.73636e+06    3.45145e+05   -1.39122e+06   -3.70700e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09754e+02   -2.12028e+02    6.21216e+01    3.50997e-06

           Step           Time
      233995000   467990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48091e+03    1.84607e+04    1.23765e+04    1.09466e+03   -2.81957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42925e+03    1.04126e+05    2.81267e+05   -1.72338e+04   -2.15727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18215e+04   -1.73627e+06    3.47099e+05   -1.38917e+06   -3.66412e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11508e+02   -2.13089e+02    4.52567e+01    3.40436e-06

           Step           Time
      234000000   468000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42816e+03    1.80434e+04    1.24941e+04    1.04116e+03   -2.86016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50952e+03    1.04312e+05    2.78111e+05   -1.71828e+04   -2.15319e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19217e+04   -1.73537e+06    3.45125e+05   -1.39025e+06   -3.66088e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09737e+02   -2.11832e+02   -1.10736e+02    3.44618e-06

           Step           Time
      234005000   468010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37760e+03    1.82172e+04    1.25052e+04    1.11401e+03   -2.82412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55948e+03    1.04515e+05    2.80610e+05   -1.71907e+04   -2.15536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20670e+04   -1.73441e+06    3.46153e+05   -1.38826e+06   -3.63512e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10659e+02   -2.12026e+02    9.39624e+01    3.67343e-06

           Step           Time
      234010000   468020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59003e+03    1.82402e+04    1.24605e+04    1.04192e+03   -2.88337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51028e+03    1.04680e+05    2.81948e+05   -1.71909e+04   -2.15673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22466e+04   -1.73409e+06    3.48489e+05   -1.38560e+06   -3.64588e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12756e+02   -2.12031e+02    2.43736e+01    3.69987e-06

           Step           Time
      234015000   468030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39032e+03    1.82541e+04    1.24210e+04    1.04752e+03   -2.98866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41317e+03    1.04550e+05    2.81494e+05   -1.72051e+04   -2.15635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21025e+04   -1.73487e+06    3.44109e+05   -1.39076e+06   -3.57288e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08824e+02   -2.12382e+02   -7.16877e+00    3.46993e-06

           Step           Time
      234020000   468040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46663e+03    1.81742e+04    1.25821e+04    1.05703e+03   -2.95105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58421e+03    1.04800e+05    2.78814e+05   -1.71800e+04   -2.15247e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19095e+04   -1.73322e+06    3.46772e+05   -1.38644e+06   -3.56900e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11214e+02   -2.11763e+02   -6.16620e+01    3.61007e-06

           Step           Time
      234025000   468050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40196e+03    1.79785e+04    1.21767e+04    1.07746e+03   -2.81434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49244e+03    1.04708e+05    2.80642e+05   -1.71924e+04   -2.15956e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17947e+04   -1.73929e+06    3.45626e+05   -1.39367e+06   -3.52062e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10185e+02   -2.12068e+02   -8.04601e+01    3.47065e-06

           Step           Time
      234030000   468060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46182e+03    1.82789e+04    1.26078e+04    1.10547e+03   -2.87316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53689e+03    1.04972e+05    2.78831e+05   -1.71813e+04   -2.15254e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19128e+04   -1.73289e+06    3.46092e+05   -1.38679e+06   -3.47250e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10604e+02   -2.11794e+02   -8.73438e+01    3.50429e-06

           Step           Time
      234035000   468070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36454e+03    1.84114e+04    1.22475e+04    1.03790e+03   -2.83164e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54569e+03    1.04599e+05    2.81498e+05   -1.71996e+04   -2.15704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19431e+04   -1.73542e+06    3.46367e+05   -1.38905e+06   -3.42788e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10850e+02   -2.12246e+02    2.75700e+01    3.44712e-06

           Step           Time
      234040000   468080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39679e+03    1.85235e+04    1.22274e+04    1.19044e+03   -2.95542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54023e+03    1.04208e+05    2.81876e+05   -1.72117e+04   -2.15790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19029e+04   -1.73620e+06    3.45576e+05   -1.39062e+06   -3.42188e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10141e+02   -2.12543e+02    8.23124e+01    3.49721e-06

           Step           Time
      234045000   468090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73043e+03    1.84227e+04    1.22888e+04    1.11791e+03   -2.85028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48224e+03    1.03818e+05    2.79207e+05   -1.71879e+04   -2.15321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20192e+04   -1.73416e+06    3.47031e+05   -1.38713e+06   -3.42038e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11446e+02   -2.11957e+02   -4.14348e+01    3.59639e-06

           Step           Time
      234050000   468100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27232e+03    1.79907e+04    1.23358e+04    1.07426e+03   -2.88875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57550e+03    1.04477e+05    2.80797e+05   -1.71852e+04   -2.15761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18782e+04   -1.73728e+06    3.46782e+05   -1.39050e+06   -3.39312e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11223e+02   -2.11890e+02    5.65372e+01    3.59670e-06

           Step           Time
      234055000   468110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64225e+03    1.82972e+04    1.22858e+04    1.11522e+03   -2.78074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51958e+03    1.04074e+05    2.79532e+05   -1.71972e+04   -2.15459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20803e+04   -1.73502e+06    3.47573e+05   -1.38745e+06   -3.38225e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11933e+02   -2.12186e+02   -6.72169e+01    3.67466e-06

           Step           Time
      234060000   468120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51941e+03    1.80170e+04    1.26113e+04    1.12300e+03   -3.02813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50780e+03    1.03962e+05    2.80488e+05   -1.72142e+04   -2.15654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19825e+04   -1.73658e+06    3.46223e+05   -1.39035e+06   -3.31212e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10721e+02   -2.12606e+02   -1.12831e+01    3.55011e-06

           Step           Time
      234065000   468130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46769e+03    1.83117e+04    1.22994e+04    9.98426e+02   -2.85442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63703e+03    1.04244e+05    2.80569e+05   -1.71798e+04   -2.15524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20376e+04   -1.73471e+06    3.46953e+05   -1.38775e+06   -3.27800e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11377e+02   -2.11757e+02    2.25619e+01    3.49641e-06

           Step           Time
      234070000   468140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48563e+03    1.82630e+04    1.25067e+04    1.13842e+03   -2.86766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52413e+03    1.03904e+05    2.78475e+05   -1.71788e+04   -2.15175e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20458e+04   -1.73345e+06    3.46435e+05   -1.38702e+06   -3.25988e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10912e+02   -2.11732e+02   -8.24867e+01    3.51250e-06

           Step           Time
      234075000   468150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56526e+03    1.81995e+04    1.23548e+04    1.03730e+03   -2.90400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47444e+03    1.03840e+05    2.79808e+05   -1.72016e+04   -2.15519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20874e+04   -1.73593e+06    3.46402e+05   -1.38953e+06   -3.25138e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10883e+02   -2.12294e+02   -3.25240e+01    3.61637e-06

           Step           Time
      234080000   468160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47402e+03    1.84112e+04    1.24447e+04    1.01506e+03   -2.87409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58036e+03    1.04252e+05    2.83078e+05   -1.71864e+04   -2.15915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19373e+04   -1.73602e+06    3.46321e+05   -1.38970e+06   -3.19525e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10810e+02   -2.11921e+02    1.18362e+02    3.44137e-06

           Step           Time
      234085000   468170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38901e+03    1.80810e+04    1.22827e+04    1.00329e+03   -2.76204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37703e+03    1.03949e+05    2.82160e+05   -1.72006e+04   -2.15974e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19720e+04   -1.73849e+06    3.46859e+05   -1.39163e+06   -3.20912e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11292e+02   -2.12271e+02   -2.28553e+01    3.46149e-06

           Step           Time
      234090000   468180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64062e+03    1.82900e+04    1.22694e+04    9.26324e+02   -2.92526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36097e+03    1.03980e+05    2.80776e+05   -1.71736e+04   -2.15700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20520e+04   -1.73681e+06    3.45509e+05   -1.39130e+06   -3.15538e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10081e+02   -2.11605e+02   -8.44541e+01    3.55538e-06

           Step           Time
      234095000   468190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52239e+03    1.82486e+04    1.24076e+04    1.05684e+03   -2.96877e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54696e+03    1.04200e+05    2.80209e+05   -1.71676e+04   -2.15468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19568e+04   -1.73467e+06    3.46442e+05   -1.38823e+06   -3.18438e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10918e+02   -2.11457e+02   -2.43244e+01    3.54566e-06

           Step           Time
      234100000   468200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56884e+03    1.81978e+04    1.24239e+04    1.10372e+03   -2.94285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44083e+03    1.04011e+05    2.80975e+05   -1.71993e+04   -2.15692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19858e+04   -1.73636e+06    3.47008e+05   -1.38935e+06   -3.10988e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11426e+02   -2.12239e+02   -6.51379e+01    3.66869e-06

           Step           Time
      234105000   468210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71419e+03    1.81305e+04    1.23610e+04    1.02990e+03   -2.92285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44155e+03    1.03709e+05    2.77172e+05   -1.71604e+04   -2.15062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21485e+04   -1.73400e+06    3.46173e+05   -1.38782e+06   -3.11000e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10677e+02   -2.11280e+02   -1.43168e+02    3.71231e-06

           Step           Time
      234110000   468220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54547e+03    1.82119e+04    1.22571e+04    1.08947e+03   -2.86288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60541e+03    1.04157e+05    2.80372e+05   -1.72066e+04   -2.15668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19842e+04   -1.73653e+06    3.46793e+05   -1.38974e+06   -3.07162e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11233e+02   -2.12418e+02   -9.68266e+00    3.62897e-06

           Step           Time
      234115000   468230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47644e+03    1.80137e+04    1.22448e+04    1.12808e+03   -2.85345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50138e+03    1.04169e+05    2.82357e+05   -1.72296e+04   -2.16044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18681e+04   -1.73877e+06    3.45033e+05   -1.39373e+06   -3.07212e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09654e+02   -2.12985e+02    2.62134e+01    3.63827e-06

           Step           Time
      234120000   468240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.22555e+03    1.79164e+04    1.22683e+04    1.13217e+03   -2.88064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54471e+03    1.03795e+05    2.76688e+05   -1.71840e+04   -2.14924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22110e+04   -1.73353e+06    3.44479e+05   -1.38905e+06   -3.03900e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09156e+02   -2.11861e+02   -1.23824e+02    3.63040e-06

           Step           Time
      234125000   468250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38389e+03    1.80691e+04    1.24058e+04    1.00897e+03   -2.93007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54943e+03    1.03937e+05    2.81344e+05   -1.72207e+04   -2.15649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20520e+04   -1.73589e+06    3.46200e+05   -1.38969e+06   -2.97850e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10701e+02   -2.12765e+02    1.13068e+02    3.60833e-06

           Step           Time
      234130000   468260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27787e+03    1.82638e+04    1.25003e+04    1.07875e+03   -2.92450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50021e+03    1.03922e+05    2.80102e+05   -1.71777e+04   -2.15695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18888e+04   -1.73752e+06    3.45408e+05   -1.39211e+06   -2.95412e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09990e+02   -2.11707e+02   -1.01095e+02    3.54634e-06

           Step           Time
      234135000   468270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67633e+03    1.80318e+04    1.23809e+04    1.11879e+03   -2.91599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50397e+03    1.04340e+05    2.80954e+05   -1.71788e+04   -2.15399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19356e+04   -1.73315e+06    3.47937e+05   -1.38521e+06   -2.95650e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12260e+02   -2.11733e+02    3.38786e+01    3.73577e-06

           Step           Time
      234140000   468280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56264e+03    1.86410e+04    1.24221e+04    1.11404e+03   -2.96000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52363e+03    1.03593e+05    2.81443e+05   -1.72034e+04   -2.15739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19651e+04   -1.73629e+06    3.47928e+05   -1.38836e+06   -2.88350e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12251e+02   -2.12338e+02    2.20389e+01    3.58585e-06

           Step           Time
      234145000   468290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50907e+03    1.80231e+04    1.22999e+04    1.02298e+03   -2.81951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50039e+03    1.03895e+05    2.79234e+05   -1.71973e+04   -2.15415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20846e+04   -1.73560e+06    3.45045e+05   -1.39055e+06   -2.85938e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09664e+02   -2.12189e+02   -3.90124e+01    3.49876e-06

           Step           Time
      234150000   468300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64945e+03    1.82038e+04    1.22455e+04    1.14695e+03   -2.79712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33278e+03    1.03465e+05    2.80327e+05   -1.71469e+04   -2.15411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19239e+04   -1.73476e+06    3.46048e+05   -1.38871e+06   -2.88250e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10565e+02   -2.10949e+02   -1.02979e+02    3.53128e-06

           Step           Time
      234155000   468310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61730e+03    1.84888e+04    1.23861e+04    9.69881e+02   -2.91797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50431e+03    1.03847e+05    2.81145e+05   -1.71891e+04   -2.15476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19736e+04   -1.73394e+06    3.47230e+05   -1.38671e+06   -2.80300e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11626e+02   -2.11987e+02    2.70602e+01    3.77001e-06

           Step           Time
      234160000   468320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62969e+03    1.81579e+04    1.23784e+04    1.00331e+03   -2.80657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43374e+03    1.04307e+05    2.81653e+05   -1.72255e+04   -2.15669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19463e+04   -1.73521e+06    3.46349e+05   -1.38886e+06   -2.77138e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10835e+02   -2.12885e+02    3.08551e+01    3.54140e-06

           Step           Time
      234165000   468330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69580e+03    1.79602e+04    1.25088e+04    1.09118e+03   -2.84546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47045e+03    1.04108e+05    2.79771e+05   -1.72015e+04   -2.15619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20236e+04   -1.73661e+06    3.45409e+05   -1.39120e+06   -2.75238e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09991e+02   -2.12292e+02   -8.67194e+01    3.67816e-06

           Step           Time
      234170000   468340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61652e+03    1.84656e+04    1.23287e+04    1.09131e+03   -2.87636e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43609e+03    1.03762e+05    2.81314e+05   -1.71985e+04   -2.15695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20617e+04   -1.73595e+06    3.46294e+05   -1.38965e+06   -2.73225e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10786e+02   -2.12218e+02   -5.64548e+01    3.63798e-06

           Step           Time
      234175000   468350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46227e+03    1.79014e+04    1.25121e+04    1.05607e+03   -2.90316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59948e+03    1.03786e+05    2.79963e+05   -1.71946e+04   -2.15675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18979e+04   -1.73767e+06    3.44621e+05   -1.39305e+06   -2.68750e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09284e+02   -2.12122e+02   -4.78862e+01    3.48465e-06

           Step           Time
      234180000   468360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53053e+03    1.80048e+04    1.26177e+04    1.04667e+03   -2.92709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54452e+03    1.03560e+05    2.80630e+05   -1.71683e+04   -2.15268e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20052e+04   -1.73284e+06    3.45943e+05   -1.38690e+06   -2.64062e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10471e+02   -2.11474e+02    1.74847e+01    3.68068e-06

           Step           Time
      234185000   468370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44345e+03    1.85138e+04    1.23341e+04    1.07084e+03   -2.91371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49140e+03    1.03701e+05    2.79873e+05   -1.71736e+04   -2.15296e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21329e+04   -1.73349e+06    3.46908e+05   -1.38658e+06   -2.59250e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11337e+02   -2.11604e+02   -2.65403e+01    3.64760e-06

           Step           Time
      234190000   468380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39840e+03    1.82341e+04    1.23362e+04    1.06731e+03   -2.88423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56889e+03    1.03761e+05    2.81578e+05   -1.72134e+04   -2.15899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18416e+04   -1.73830e+06    3.46964e+05   -1.39133e+06   -2.57050e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11387e+02   -2.12586e+02    1.64305e+01    3.55024e-06

           Step           Time
      234195000   468390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38079e+03    1.83553e+04    1.24954e+04    1.09936e+03   -2.87819e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46944e+03    1.03747e+05    2.82130e+05   -1.71398e+04   -2.15587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18167e+04   -1.73439e+06    3.47712e+05   -1.38668e+06   -2.58950e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12058e+02   -2.10773e+02    1.00413e+01    3.73127e-06

           Step           Time
      234200000   468400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36057e+03    1.85189e+04    1.23813e+04    1.09559e+03   -2.74304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38912e+03    1.03505e+05    2.80462e+05   -1.71676e+04   -2.15625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23252e+04   -1.73612e+06    3.46515e+05   -1.38961e+06   -2.52662e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10984e+02   -2.11456e+02   -7.74626e+01    3.73164e-06

           Step           Time
      234205000   468410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33653e+03    1.81622e+04    1.22719e+04    1.14389e+03   -2.74543e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53962e+03    1.04269e+05    2.80700e+05   -1.71822e+04   -2.15446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19105e+04   -1.73406e+06    3.46373e+05   -1.38768e+06   -2.52088e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10857e+02   -2.11817e+02    6.73400e+01    3.60281e-06

           Step           Time
      234210000   468420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39028e+03    1.81120e+04    1.24023e+04    1.10746e+03   -2.81387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48218e+03    1.03675e+05    2.82078e+05   -1.71983e+04   -2.15993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19770e+04   -1.73871e+06    3.46892e+05   -1.39182e+06   -2.47362e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11322e+02   -2.12214e+02   -3.63043e+01    3.55221e-06

           Step           Time
      234215000   468430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35810e+03    1.86701e+04    1.26448e+04    1.05675e+03   -2.89730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45689e+03    1.03910e+05    2.79066e+05   -1.71580e+04   -2.15255e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18232e+04   -1.73362e+06    3.48340e+05   -1.38528e+06   -2.46412e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12621e+02   -2.11220e+02   -5.32543e+01    3.55936e-06

           Step           Time
      234220000   468440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63244e+03    1.83403e+04    1.24562e+04    1.13527e+03   -2.83188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49196e+03    1.03826e+05    2.80352e+05   -1.72573e+04   -2.15642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18784e+04   -1.73640e+06    3.46276e+05   -1.39012e+06   -2.39162e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10769e+02   -2.13671e+02   -1.55422e+01    3.37619e-06

           Step           Time
      234225000   468450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52284e+03    1.85377e+04    1.25537e+04    1.13571e+03   -2.90379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48597e+03    1.04150e+05    2.82671e+05   -1.72392e+04   -2.15637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18345e+04   -1.73363e+06    3.48878e+05   -1.38475e+06   -2.38625e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13105e+02   -2.13223e+02    9.87970e+01    3.61318e-06

           Step           Time
      234230000   468460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57621e+03    1.77509e+04    1.22543e+04    1.08223e+03   -2.90475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48862e+03    1.04496e+05    2.80620e+05   -1.71667e+04   -2.15465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19633e+04   -1.73449e+06    3.46579e+05   -1.38791e+06   -2.32688e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11041e+02   -2.11436e+02   -5.01390e+01    3.62904e-06

           Step           Time
      234235000   468470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56191e+03    1.81781e+04    1.23640e+04    1.02290e+03   -2.88370e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49583e+03    1.03907e+05    2.79836e+05   -1.71621e+04   -2.15302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20645e+04   -1.73363e+06    3.48000e+05   -1.38563e+06   -2.33238e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12317e+02   -2.11322e+02   -1.03238e+02    3.58024e-06

           Step           Time
      234240000   468480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49511e+03    1.80823e+04    1.24101e+04    1.11075e+03   -2.75915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50361e+03    1.04582e+05    2.80440e+05   -1.71644e+04   -2.15512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17664e+04   -1.73465e+06    3.45712e+05   -1.38894e+06   -2.26912e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10263e+02   -2.11378e+02   -5.80508e+01    3.52394e-06

           Step           Time
      234245000   468490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.14903e+03    1.80659e+04    1.23087e+04    1.02575e+03   -2.77347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48299e+03    1.04134e+05    2.83661e+05   -1.72039e+04   -2.16129e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18684e+04   -1.73857e+06    3.46335e+05   -1.39223e+06   -2.27250e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10822e+02   -2.12351e+02    8.85821e+01    3.74087e-06

           Step           Time
      234250000   468500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57404e+03    1.85511e+04    1.23292e+04    1.08183e+03   -2.84413e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39376e+03    1.04228e+05    2.81160e+05   -1.71954e+04   -2.15581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21477e+04   -1.73438e+06    3.46724e+05   -1.38766e+06   -2.22075e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11171e+02   -2.12142e+02    2.93647e+01    3.55610e-06

           Step           Time
      234255000   468510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73617e+03    1.81636e+04    1.25055e+04    1.08074e+03   -2.80378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42203e+03    1.04078e+05    2.80829e+05   -1.71678e+04   -2.15409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18825e+04   -1.73337e+06    3.46798e+05   -1.38657e+06   -2.20912e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11237e+02   -2.11462e+02   -6.43157e+01    3.64678e-06

           Step           Time
      234260000   468520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27305e+03    1.80462e+04    1.23429e+04    1.12969e+03   -2.89182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53954e+03    1.04144e+05    2.80751e+05   -1.71931e+04   -2.15594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20179e+04   -1.73578e+06    3.44799e+05   -1.39098e+06   -2.17938e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09443e+02   -2.12086e+02    8.08974e+00    3.62186e-06

           Step           Time
      234265000   468530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53229e+03    1.81170e+04    1.22991e+04    1.05819e+03   -2.79689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58291e+03    1.04121e+05    2.82004e+05   -1.72173e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20501e+04   -1.73399e+06    3.46880e+05   -1.38711e+06   -2.11175e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11312e+02   -2.12682e+02    7.94888e+01    3.48351e-06

           Step           Time
      234270000   468540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36668e+03    1.83721e+04    1.24229e+04    1.10381e+03   -2.85621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61493e+03    1.04083e+05    2.81667e+05   -1.71792e+04   -2.15437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20552e+04   -1.73272e+06    3.47279e+05   -1.38544e+06   -2.12625e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11670e+02   -2.11743e+02    1.17675e+02    3.58993e-06

           Step           Time
      234275000   468550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50997e+03    1.83366e+04    1.24760e+04    1.02541e+03   -2.92871e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58460e+03    1.03672e+05    2.81772e+05   -1.72078e+04   -2.15568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19281e+04   -1.73451e+06    3.47714e+05   -1.38679e+06   -2.09838e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12060e+02   -2.12448e+02    1.09828e+02    3.59597e-06

           Step           Time
      234280000   468560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58718e+03    1.82454e+04    1.22397e+04    1.06787e+03   -2.92770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56692e+03    1.04145e+05    2.80190e+05   -1.71704e+04   -2.15349e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20477e+04   -1.73350e+06    3.45468e+05   -1.38803e+06   -1.99038e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10044e+02   -2.11527e+02   -3.66423e+01    3.69808e-06

           Step           Time
      234285000   468570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42555e+03    1.84368e+04    1.22679e+04    1.08549e+03   -2.89967e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54362e+03    1.04144e+05    2.82210e+05   -1.72286e+04   -2.15682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18902e+04   -1.73495e+06    3.47183e+05   -1.38777e+06   -2.03412e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11583e+02   -2.12960e+02    1.23718e+02    3.49276e-06

           Step           Time
      234290000   468580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49784e+03    1.84926e+04    1.23937e+04    1.15515e+03   -2.81011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62715e+03    1.04266e+05    2.81700e+05   -1.71949e+04   -2.15412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21201e+04   -1.73188e+06    3.47410e+05   -1.38447e+06   -2.03675e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11787e+02   -2.12130e+02    8.62035e+01    3.45184e-06

           Step           Time
      234295000   468590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65912e+03    1.81450e+04    1.23834e+04    1.22374e+03   -2.97736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57097e+03    1.04691e+05    2.80416e+05   -1.72362e+04   -2.15278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18598e+04   -1.73204e+06    3.47279e+05   -1.38476e+06   -1.99725e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11670e+02   -2.13148e+02    1.00718e+02    3.43584e-06

           Step           Time
      234300000   468600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47149e+03    1.79763e+04    1.23595e+04    1.01869e+03   -2.88753e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57985e+03    1.03919e+05    2.81824e+05   -1.72279e+04   -2.15733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19836e+04   -1.73631e+06    3.45677e+05   -1.39063e+06   -1.96575e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10232e+02   -2.12943e+02    2.33844e+01    3.67025e-06

           Step           Time
      234305000   468610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69495e+03    1.83559e+04    1.24612e+04    1.01802e+03   -2.91619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53879e+03    1.04009e+05    2.83043e+05   -1.72542e+04   -2.15881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18527e+04   -1.73600e+06    3.45851e+05   -1.39015e+06   -1.91612e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10388e+02   -2.13595e+02    1.39898e+02    3.71562e-06

           Step           Time
      234310000   468620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73763e+03    1.85551e+04    1.24667e+04    1.14043e+03   -2.88693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43300e+03    1.03757e+05    2.79816e+05   -1.71940e+04   -2.15361e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20649e+04   -1.73372e+06    3.47433e+05   -1.38629e+06   -1.88312e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11807e+02   -2.12109e+02   -5.50549e+00    3.57459e-06

           Step           Time
      234315000   468630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35728e+03    1.82412e+04    1.25941e+04    1.12235e+03   -2.90904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61390e+03    1.04479e+05    2.80708e+05   -1.72124e+04   -2.15617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20854e+04   -1.73509e+06    3.44812e+05   -1.39027e+06   -1.83900e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09455e+02   -2.12562e+02    8.66593e+01    3.45713e-06

           Step           Time
      234320000   468640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29580e+03    1.80085e+04    1.24764e+04    1.10443e+03   -2.80487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47529e+03    1.04117e+05    2.80511e+05   -1.71948e+04   -2.15521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21854e+04   -1.73503e+06    3.46052e+05   -1.38898e+06   -1.85550e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10569e+02   -2.12128e+02   -5.14919e+00    3.57640e-06

           Step           Time
      234325000   468650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57246e+03    1.82262e+04    1.24416e+04    1.04139e+03   -2.95944e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50875e+03    1.03945e+05    2.79844e+05   -1.71593e+04   -2.15251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21245e+04   -1.73292e+06    3.47378e+05   -1.38555e+06   -1.80625e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11758e+02   -2.11253e+02   -6.77845e+01    3.65802e-06

           Step           Time
      234330000   468660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79315e+03    1.81724e+04    1.24368e+04    1.04943e+03   -2.87504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38796e+03    1.04257e+05    2.78313e+05   -1.71658e+04   -2.15252e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21774e+04   -1.73397e+06    3.46441e+05   -1.38753e+06   -1.77350e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10917e+02   -2.11414e+02   -1.05966e+02    3.81888e-06

           Step           Time
      234335000   468670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56820e+03    1.82082e+04    1.23955e+04    1.12699e+03   -2.84851e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33613e+03    1.04183e+05    2.81623e+05   -1.71391e+04   -2.15521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21050e+04   -1.73365e+06    3.45609e+05   -1.38804e+06   -1.74525e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10171e+02   -2.10757e+02   -1.19792e+01    3.57038e-06

           Step           Time
      234340000   468680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45921e+03    1.86483e+04    1.23405e+04    1.07112e+03   -3.01955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39638e+03    1.04102e+05    2.81888e+05   -1.72239e+04   -2.15579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20041e+04   -1.73413e+06    3.45646e+05   -1.38848e+06   -1.69600e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10204e+02   -2.12845e+02    9.86223e+01    3.48509e-06

           Step           Time
      234345000   468690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54029e+03    1.84380e+04    1.23847e+04    1.02457e+03   -2.95867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52248e+03    1.04394e+05    2.81872e+05   -1.72026e+04   -2.15641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20534e+04   -1.73434e+06    3.46194e+05   -1.38815e+06   -1.68150e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10696e+02   -2.12318e+02    4.88671e+01    3.45338e-06

           Step           Time
      234350000   468700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55775e+03    1.80667e+04    1.24282e+04    1.09571e+03   -2.83253e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43669e+03    1.04445e+05    2.79316e+05   -1.71835e+04   -2.15705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20328e+04   -1.73769e+06    3.46083e+05   -1.39161e+06   -1.69175e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10596e+02   -2.11849e+02   -7.39121e+01    3.68517e-06

           Step           Time
      234355000   468710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57020e+03    1.84937e+04    1.23411e+04    1.02669e+03   -2.86141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42277e+03    1.03957e+05    2.82982e+05   -1.72318e+04   -2.15760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21236e+04   -1.73478e+06    3.47420e+05   -1.38736e+06   -1.61338e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11796e+02   -2.13040e+02    1.43759e+02    3.60338e-06

           Step           Time
      234360000   468720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67196e+03    1.80847e+04    1.23191e+04    1.05388e+03   -2.93388e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51771e+03    1.04414e+05    2.83172e+05   -1.71851e+04   -2.15730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21981e+04   -1.73399e+06    3.46425e+05   -1.38757e+06   -1.57075e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10903e+02   -2.11888e+02    1.00420e+02    3.55408e-06

           Step           Time
      234365000   468730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66307e+03    1.84153e+04    1.23661e+04    1.07313e+03   -2.94769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38042e+03    1.04470e+05    2.80952e+05   -1.71925e+04   -2.15592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20451e+04   -1.73470e+06    3.48681e+05   -1.38602e+06   -1.54312e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12928e+02   -2.12070e+02    1.15537e+01    3.75622e-06

           Step           Time
      234370000   468740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63160e+03    1.83262e+04    1.24533e+04    1.11198e+03   -2.80811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48735e+03    1.04067e+05    2.80483e+05   -1.72104e+04   -2.15402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20115e+04   -1.73347e+06    3.47161e+05   -1.38631e+06   -1.48762e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11564e+02   -2.12513e+02   -2.16798e+01    3.68912e-06

           Step           Time
      234375000   468750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82787e+03    1.81405e+04    1.24054e+04    1.04465e+03   -2.85945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50080e+03    1.04292e+05    2.80803e+05   -1.71820e+04   -2.15396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20831e+04   -1.73290e+06    3.46947e+05   -1.38596e+06   -1.46500e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11371e+02   -2.11812e+02    1.29133e+01    3.58391e-06

           Step           Time
      234380000   468760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60932e+03    1.80293e+04    1.25001e+04    1.03408e+03   -2.91988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47718e+03    1.04312e+05    2.81305e+05   -1.71959e+04   -2.15821e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20096e+04   -1.73705e+06    3.46908e+05   -1.39014e+06   -1.41850e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11336e+02   -2.12154e+02   -2.43689e+01    3.52101e-06

           Step           Time
      234385000   468770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41876e+03    1.80818e+04    1.24307e+04    1.13683e+03   -2.78594e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50583e+03    1.04117e+05    2.81285e+05   -1.71943e+04   -2.15621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18687e+04   -1.73535e+06    3.46829e+05   -1.38852e+06   -1.43762e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11266e+02   -2.12114e+02    3.32161e+01    3.69066e-06

           Step           Time
      234390000   468780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61436e+03    1.85673e+04    1.23533e+04    1.07212e+03   -2.84325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42523e+03    1.04271e+05    2.78347e+05   -1.72036e+04   -2.15193e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17868e+04   -1.73354e+06    3.46216e+05   -1.38732e+06   -1.37200e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10715e+02   -2.12345e+02   -1.14533e+02    3.57006e-06

           Step           Time
      234395000   468790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59709e+03    1.82958e+04    1.23343e+04    1.08607e+03   -2.77984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46174e+03    1.04388e+05    2.79816e+05   -1.72055e+04   -2.15282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21885e+04   -1.73264e+06    3.48305e+05   -1.38433e+06   -1.40900e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12590e+02   -2.12391e+02   -2.61250e+01    3.58846e-06

           Step           Time
      234400000   468800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50810e+03    1.82010e+04    1.23826e+04    1.08608e+03   -2.83973e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50206e+03    1.04731e+05    2.79671e+05   -1.72480e+04   -2.15570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19098e+04   -1.73580e+06    3.48426e+05   -1.38737e+06   -1.32175e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12699e+02   -2.13440e+02   -2.86781e+01    3.59758e-06

           Step           Time
      234405000   468810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37672e+03    1.83730e+04    1.22056e+04    1.04783e+03   -2.92533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38475e+03    1.04185e+05    2.80074e+05   -1.72293e+04   -2.15683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20071e+04   -1.73733e+06    3.45200e+05   -1.39213e+06   -1.24488e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09804e+02   -2.12979e+02   -1.49133e+01    3.55295e-06

           Step           Time
      234410000   468820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50090e+03    1.80330e+04    1.24168e+04    1.09023e+03   -2.89003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45231e+03    1.04633e+05    2.81053e+05   -1.71764e+04   -2.15419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18996e+04   -1.73318e+06    3.46248e+05   -1.38693e+06   -1.28375e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10744e+02   -2.11675e+02    4.40224e+01    3.58801e-06

           Step           Time
      234415000   468830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41115e+03    1.82312e+04    1.22302e+04    1.03876e+03   -2.83756e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63327e+03    1.04505e+05    2.79009e+05   -1.72165e+04   -2.15333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18718e+04   -1.73445e+06    3.46081e+05   -1.38837e+06   -1.23025e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10595e+02   -2.12663e+02    5.13492e+01    3.61255e-06

           Step           Time
      234420000   468840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57721e+03    1.82522e+04    1.24716e+04    1.11950e+03   -2.81440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40452e+03    1.04044e+05    2.81454e+05   -1.71661e+04   -2.15329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20197e+04   -1.73193e+06    3.47421e+05   -1.38451e+06   -1.22525e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11797e+02   -2.11419e+02    6.54532e+01    3.70117e-06

           Step           Time
      234425000   468850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51430e+03    1.79253e+04    1.24427e+04    1.10840e+03   -2.73213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51597e+03    1.04448e+05    2.81965e+05   -1.72150e+04   -2.16193e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18620e+04   -1.74010e+06    3.46559e+05   -1.39354e+06   -1.16562e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11023e+02   -2.12626e+02    3.47207e+01    3.55214e-06

Writing checkpoint, step 234426700 at Fri Dec  1 23:23:07 2023


           Step           Time
      234430000   468860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64788e+03    1.86724e+04    1.24785e+04    1.09372e+03   -2.88511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.27511e+03    1.04099e+05    2.79691e+05   -1.71954e+04   -2.15413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21076e+04   -1.73414e+06    3.45622e+05   -1.38852e+06   -1.07662e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10182e+02   -2.12142e+02   -7.74993e+01    3.48162e-06

           Step           Time
      234435000   468870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31909e+03    1.80345e+04    1.23851e+04    1.06460e+03   -2.76749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61194e+03    1.04024e+05    2.81951e+05   -1.72091e+04   -2.15792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19419e+04   -1.73657e+06    3.45758e+05   -1.39081e+06   -1.10938e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10304e+02   -2.12479e+02    7.82013e+01    3.54672e-06

           Step           Time
      234440000   468880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50688e+03    1.81308e+04    1.22183e+04    1.09175e+03   -2.75025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51792e+03    1.03913e+05    2.80290e+05   -1.72263e+04   -2.15508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21917e+04   -1.73519e+06    3.45902e+05   -1.38929e+06   -1.05350e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10434e+02   -2.12904e+02   -6.93333e-01    3.60981e-06

           Step           Time
      234445000   468890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69158e+03    1.80877e+04    1.23367e+04    1.02503e+03   -2.87634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44590e+03    1.04236e+05    2.76924e+05   -1.71677e+04   -2.15238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18677e+04   -1.73581e+06    3.45944e+05   -1.38987e+06   -1.08050e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10472e+02   -2.11461e+02   -1.63467e+02    3.64506e-06

           Step           Time
      234450000   468900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60975e+03    1.83809e+04    1.23855e+04    1.13881e+03   -2.85535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51560e+03    1.03736e+05    2.81612e+05   -1.71508e+04   -2.15514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20386e+04   -1.73373e+06    3.45817e+05   -1.38791e+06   -1.02512e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10357e+02   -2.11045e+02    1.71801e+01    3.41806e-06

           Step           Time
      234455000   468910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57670e+03    1.81432e+04    1.24849e+04    1.08587e+03   -2.85809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50642e+03    1.03963e+05    2.78892e+05   -1.71686e+04   -2.15123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20778e+04   -1.73252e+06    3.46727e+05   -1.38580e+06   -1.01688e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11174e+02   -2.11482e+02   -6.29868e+01    3.70892e-06

           Step           Time
      234460000   468920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45353e+03    1.82779e+04    1.24308e+04    1.08827e+03   -2.79233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57114e+03    1.03482e+05    2.79678e+05   -1.71604e+04   -2.15335e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19491e+04   -1.73437e+06    3.47443e+05   -1.38693e+06   -1.01588e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11817e+02   -2.11281e+02   -3.96666e+01    3.56565e-06

           Step           Time
      234465000   468930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31825e+03    1.80015e+04    1.24894e+04    1.11145e+03   -2.86274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60344e+03    1.03892e+05    2.81111e+05   -1.71683e+04   -2.15607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21425e+04   -1.73543e+06    3.45547e+05   -1.38989e+06   -9.55000e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10115e+02   -2.11474e+02    1.85785e+01    3.66153e-06

           Step           Time
      234470000   468940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31062e+03    1.77013e+04    1.25185e+04    1.13898e+03   -2.88039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57001e+03    1.04316e+05    2.81954e+05   -1.72265e+04   -2.15807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19516e+04   -1.73671e+06    3.44627e+05   -1.39208e+06   -9.54500e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09290e+02   -2.12910e+02    7.14651e+01    3.63760e-06

           Step           Time
      234475000   468950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62793e+03    1.80760e+04    1.24912e+04    1.10889e+03   -2.71671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55749e+03    1.03866e+05    2.80915e+05   -1.71737e+04   -2.15613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19394e+04   -1.73544e+06    3.45589e+05   -1.38985e+06   -8.53750e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10152e+02   -2.11607e+02    4.51337e+01    3.65564e-06

           Step           Time
      234480000   468960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81789e+03    1.83410e+04    1.24502e+04    1.06085e+03   -2.83470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51143e+03    1.04035e+05    2.80821e+05   -1.71900e+04   -2.15371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20922e+04   -1.73260e+06    3.47283e+05   -1.38532e+06   -8.27875e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11673e+02   -2.12010e+02    4.47025e+01    3.63110e-06

           Step           Time
      234485000   468970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26188e+03    1.79876e+04    1.25395e+04    1.11091e+03   -2.83659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63183e+03    1.04403e+05    2.82419e+05   -1.72185e+04   -2.15922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20858e+04   -1.73684e+06    3.47141e+05   -1.38970e+06   -8.28250e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11546e+02   -2.12712e+02    1.47019e+02    3.56476e-06

           Step           Time
      234490000   468980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48257e+03    1.79773e+04    1.23802e+04    9.79433e+02   -2.88754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64813e+03    1.04553e+05    2.81549e+05   -1.71940e+04   -2.15547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20270e+04   -1.73395e+06    3.46786e+05   -1.38717e+06   -8.04500e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11227e+02   -2.12108e+02    7.06637e+01    3.79463e-06

           Step           Time
      234495000   468990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49308e+03    1.83312e+04    1.24601e+04    1.08429e+03   -2.82802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51501e+03    1.03754e+05    2.80228e+05   -1.72259e+04   -2.15570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17723e+04   -1.73612e+06    3.48407e+05   -1.38771e+06   -8.34750e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12682e+02   -2.12894e+02    4.30166e+00    3.66368e-06

           Step           Time
      234500000   469000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45327e+03    1.81191e+04    1.23792e+04    1.10592e+03   -2.89069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48173e+03    1.04132e+05    2.80676e+05   -1.72163e+04   -2.15543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17598e+04   -1.73543e+06    3.46154e+05   -1.38927e+06   -7.92625e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10660e+02   -2.12657e+02    7.62531e+01    3.57230e-06

           Step           Time
      234505000   469010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36349e+03    1.83922e+04    1.22665e+04    1.08871e+03   -2.90714e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48664e+03    1.03981e+05    2.80713e+05   -1.72257e+04   -2.15729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19611e+04   -1.73718e+06    3.45252e+05   -1.39192e+06   -7.37625e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09851e+02   -2.12890e+02    2.77255e+01    3.66569e-06

           Step           Time
      234510000   469020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54239e+03    1.81007e+04    1.25150e+04    1.04412e+03   -2.95077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48130e+03    1.03682e+05    2.78580e+05   -1.71935e+04   -2.15323e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18288e+04   -1.73561e+06    3.46415e+05   -1.38919e+06   -7.14750e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10894e+02   -2.12095e+02   -1.31085e+02    3.62097e-06

           Step           Time
      234515000   469030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58928e+03    1.80953e+04    1.22999e+04    1.08382e+03   -2.78230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49985e+03    1.03926e+05    2.82414e+05   -1.71658e+04   -2.15769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19604e+04   -1.73577e+06    3.46035e+05   -1.38974e+06   -6.68500e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10553e+02   -2.11413e+02    9.16893e+00    3.58934e-06

           Step           Time
      234520000   469040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48440e+03    1.82262e+04    1.23042e+04    9.86650e+02   -2.90481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55231e+03    1.04039e+05    2.79886e+05   -1.71985e+04   -2.15474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19425e+04   -1.73542e+06    3.48056e+05   -1.38736e+06   -6.59375e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12367e+02   -2.12217e+02    1.48089e+01    3.59299e-06

           Step           Time
      234525000   469050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64110e+03    1.84764e+04    1.24609e+04    1.11055e+03   -2.92060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.31888e+03    1.03885e+05    2.81455e+05   -1.71381e+04   -2.15410e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20228e+04   -1.73278e+06    3.47569e+05   -1.38521e+06   -5.76000e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11930e+02   -2.10733e+02   -3.72841e+01    3.42414e-06

           Step           Time
      234530000   469060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47996e+03    1.83135e+04    1.20354e+04    9.96836e+02   -2.82736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53696e+03    1.03715e+05    2.81280e+05   -1.71313e+04   -2.15601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19888e+04   -1.73562e+06    3.43872e+05   -1.39175e+06   -5.10125e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08611e+02   -2.10566e+02   -1.79137e+01    3.50846e-06

           Step           Time
      234535000   469070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42935e+03    1.82179e+04    1.22481e+04    1.15464e+03   -2.80843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53953e+03    1.03759e+05    2.81892e+05   -1.72216e+04   -2.15858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20150e+04   -1.73736e+06    3.45567e+05   -1.39179e+06   -4.94625e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10133e+02   -2.12789e+02    5.54233e+01    3.57459e-06

           Step           Time
      234540000   469080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59638e+03    1.81454e+04    1.22333e+04    1.10762e+03   -2.78139e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45677e+03    1.04039e+05    2.80547e+05   -1.71588e+04   -2.15653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18565e+04   -1.73649e+06    3.46371e+05   -1.39012e+06   -4.72750e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10855e+02   -2.11240e+02   -7.80037e+01    3.54441e-06

           Step           Time
      234545000   469090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50755e+03    1.84757e+04    1.24949e+04    1.10530e+03   -2.64914e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54316e+03    1.03371e+05    2.79513e+05   -1.71762e+04   -2.15174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18516e+04   -1.73271e+06    3.47559e+05   -1.38515e+06   -4.37125e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11921e+02   -2.11669e+02    2.04105e+01    3.71478e-06

           Step           Time
      234550000   469100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50930e+03    1.82619e+04    1.24023e+04    1.08782e+03   -2.87441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52493e+03    1.03446e+05    2.81721e+05   -1.71524e+04   -2.15601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19808e+04   -1.73511e+06    3.46368e+05   -1.38874e+06   -4.33500e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10852e+02   -2.11084e+02    2.11899e+01    3.51495e-06

           Step           Time
      234555000   469110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59864e+03    1.80404e+04    1.24620e+04    1.05722e+03   -2.96342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46878e+03    1.04584e+05    2.79873e+05   -1.72309e+04   -2.15702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18864e+04   -1.73725e+06    3.47610e+05   -1.38964e+06   -3.70500e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11966e+02   -2.13018e+02   -4.61499e+01    3.54758e-06

           Step           Time
      234560000   469120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71972e+03    1.78434e+04    1.24036e+04    1.06844e+03   -2.75483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57986e+03    1.03951e+05    2.79534e+05   -1.71896e+04   -2.15313e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20046e+04   -1.73397e+06    3.48955e+05   -1.38502e+06   -3.46375e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13173e+02   -2.12000e+02    2.40567e+01    3.59261e-06

           Step           Time
      234565000   469130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59078e+03    1.77829e+04    1.22923e+04    1.03620e+03   -2.91338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41056e+03    1.04118e+05    2.82356e+05   -1.72029e+04   -2.15842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20114e+04   -1.73694e+06    3.45143e+05   -1.39180e+06   -3.30125e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09752e+02   -2.12326e+02    1.56071e+00    3.64472e-06

           Step           Time
      234570000   469140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.19560e+03    1.83761e+04    1.25600e+04    1.01558e+03   -2.97581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41598e+03    1.03839e+05    2.83758e+05   -1.71947e+04   -2.15893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19362e+04   -1.73601e+06    3.47604e+05   -1.38840e+06   -3.07375e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11961e+02   -2.12123e+02    1.28450e+02    3.57955e-06

           Step           Time
      234575000   469150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76901e+03    1.80723e+04    1.24385e+04    1.09687e+03   -2.94158e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48843e+03    1.03461e+05    2.79676e+05   -1.71748e+04   -2.15307e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20504e+04   -1.73414e+06    3.46575e+05   -1.38756e+06   -2.50250e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11038e+02   -2.11634e+02   -8.08143e+00    3.67994e-06

           Step           Time
      234580000   469160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53350e+03    1.83262e+04    1.23747e+04    1.04283e+03   -2.89406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58828e+03    1.04187e+05    2.81448e+05   -1.72040e+04   -2.15615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18942e+04   -1.73486e+06    3.48288e+05   -1.38657e+06   -2.36375e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12575e+02   -2.12354e+02    1.39922e+02    3.65550e-06

           Step           Time
      234585000   469170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53376e+03    1.81927e+04    1.23287e+04    1.12048e+03   -2.80319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42908e+03    1.04449e+05    2.81305e+05   -1.71940e+04   -2.15738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18416e+04   -1.73618e+06    3.47753e+05   -1.38843e+06   -2.10125e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12095e+02   -2.12106e+02    2.46401e+01    3.49186e-06

           Step           Time
      234590000   469180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52361e+03    1.83822e+04    1.23260e+04    1.06909e+03   -2.75550e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49335e+03    1.03707e+05    2.83224e+05   -1.71773e+04   -2.15830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19113e+04   -1.73560e+06    3.46991e+05   -1.38861e+06   -2.01375e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11411e+02   -2.11696e+02    1.32305e+02    3.49623e-06

           Step           Time
      234595000   469190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29020e+03    1.83098e+04    1.23302e+04    1.02812e+03   -2.89756e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51119e+03    1.04137e+05    2.82248e+05   -1.71490e+04   -2.15581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19864e+04   -1.73401e+06    3.46895e+05   -1.38712e+06   -1.67625e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11324e+02   -2.10999e+02    4.60391e+01    3.61809e-06

           Step           Time
      234600000   469200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48650e+03    1.83607e+04    1.22588e+04    1.06774e+03   -2.82417e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52573e+03    1.04131e+05    2.81680e+05   -1.71950e+04   -2.15659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18974e+04   -1.73521e+06    3.46960e+05   -1.38825e+06   -1.25000e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11383e+02   -2.12133e+02    7.87558e+01    3.49902e-06

           Step           Time
      234605000   469210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42014e+03    1.85487e+04    1.25002e+04    1.11531e+03   -2.84304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52102e+03    1.03746e+05    2.77568e+05   -1.71596e+04   -2.15134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21760e+04   -1.73375e+06    3.46636e+05   -1.38712e+06   -1.13625e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11092e+02   -2.11261e+02   -1.26926e+02    3.46038e-06

           Step           Time
      234610000   469220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62841e+03    1.80904e+04    1.25799e+04    1.06987e+03   -2.77590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56861e+03    1.03674e+05    2.79813e+05   -1.71927e+04   -2.15310e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20135e+04   -1.73363e+06    3.46510e+05   -1.38712e+06   -9.38750e+01
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10980e+02   -2.12076e+02   -1.78580e+01    3.45214e-06

           Step           Time
      234615000   469230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55963e+03    1.84689e+04    1.23582e+04    1.05754e+03   -2.90697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48036e+03    1.03627e+05    2.80125e+05   -1.71600e+04   -2.15404e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20612e+04   -1.73437e+06    3.46291e+05   -1.38808e+06   -3.75000e+01
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10783e+02   -2.11272e+02    2.04763e+01    3.68835e-06

           Step           Time
      234620000   469240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27545e+03    1.78254e+04    1.22573e+04    1.08594e+03   -2.88573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56131e+03    1.04245e+05    2.80602e+05   -1.71935e+04   -2.15619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22268e+04   -1.73619e+06    3.46623e+05   -1.38957e+06   -1.97500e+01
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11081e+02   -2.12096e+02    3.48671e+00    3.48752e-06

           Step           Time
      234625000   469250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78922e+03    1.84692e+04    1.24982e+04    1.23575e+03   -2.88109e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38420e+03    1.03687e+05    2.78196e+05   -1.71487e+04   -2.14927e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20260e+04   -1.73101e+06    3.47758e+05   -1.38326e+06    3.41250e+01
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12099e+02   -2.10994e+02   -1.08345e+02    3.59751e-06

           Step           Time
      234630000   469260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25823e+03    1.83816e+04    1.23086e+04    1.03963e+03   -2.82032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62248e+03    1.03783e+05    2.78844e+05   -1.71690e+04   -2.15225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19487e+04   -1.73405e+06    3.47173e+05   -1.38688e+06   -2.30000e+01
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11574e+02   -2.11492e+02   -2.87924e+01    3.45636e-06

           Step           Time
      234635000   469270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52785e+03    1.79350e+04    1.24615e+04    1.10334e+03   -2.91172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55764e+03    1.04117e+05    2.79872e+05   -1.72004e+04   -2.15545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18814e+04   -1.73611e+06    3.48352e+05   -1.38775e+06    4.43750e+01
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12632e+02   -2.12265e+02   -3.69700e+01    3.59301e-06

           Step           Time
      234640000   469280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67397e+03    1.82816e+04    1.24158e+04    1.08209e+03   -2.80491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49504e+03    1.04035e+05    2.80886e+05   -1.71396e+04   -2.15345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21066e+04   -1.73242e+06    3.47059e+05   -1.38536e+06    1.03875e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11472e+02   -2.10770e+02   -3.65239e+01    3.49640e-06

           Step           Time
      234645000   469290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54400e+03    1.81448e+04    1.23490e+04    1.10576e+03   -2.84157e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53048e+03    1.04394e+05    2.82595e+05   -1.72091e+04   -2.15890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22923e+04   -1.73600e+06    3.45628e+05   -1.39037e+06    1.28625e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10188e+02   -2.12481e+02    9.86377e+01    3.44003e-06

           Step           Time
      234650000   469300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56805e+03    1.83150e+04    1.22613e+04    1.14109e+03   -2.82394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41157e+03    1.04233e+05    2.79453e+05   -1.71741e+04   -2.15462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19639e+04   -1.73527e+06    3.45207e+05   -1.39006e+06    1.39875e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09810e+02   -2.11617e+02   -1.05115e+02    3.63285e-06

           Step           Time
      234655000   469310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46317e+03    1.81382e+04    1.22953e+04    1.09635e+03   -2.81393e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53155e+03    1.04108e+05    2.78490e+05   -1.71833e+04   -2.15327e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18776e+04   -1.73527e+06    3.47296e+05   -1.38798e+06    1.30125e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11684e+02   -2.11843e+02   -5.28046e+01    3.41804e-06

           Step           Time
      234660000   469320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44316e+03    1.80000e+04    1.23043e+04    1.06829e+03   -2.99716e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53487e+03    1.04381e+05    2.81658e+05   -1.71598e+04   -2.15708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20129e+04   -1.73584e+06    3.44913e+05   -1.39092e+06    1.68625e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09546e+02   -2.11265e+02    1.31779e+00    3.49577e-06

           Step           Time
      234665000   469330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64322e+03    1.82562e+04    1.23135e+04    1.08043e+03   -2.81901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47077e+03    1.03417e+05    2.79287e+05   -1.71526e+04   -2.15174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19197e+04   -1.73332e+06    3.46559e+05   -1.38676e+06    2.13125e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11024e+02   -2.11088e+02   -8.05550e+01    3.54825e-06

           Step           Time
      234670000   469340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82737e+03    1.84637e+04    1.23294e+04    1.08770e+03   -2.78557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34303e+03    1.03920e+05    2.79434e+05   -1.72062e+04   -2.15334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20654e+04   -1.73386e+06    3.46840e+05   -1.38702e+06    2.81375e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11275e+02   -2.12408e+02   -8.24429e+01    3.58489e-06

           Step           Time
      234675000   469350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50742e+03    1.84426e+04    1.21597e+04    1.07302e+03   -2.75261e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53394e+03    1.03896e+05    2.78363e+05   -1.72055e+04   -2.15434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19900e+04   -1.73634e+06    3.45190e+05   -1.39115e+06    3.00750e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09795e+02   -2.12392e+02   -4.71913e+01    3.51566e-06

           Step           Time
      234680000   469360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02289e+03    1.81226e+04    1.24267e+04    1.07258e+03   -2.95660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40933e+03    1.04048e+05    2.81791e+05   -1.71911e+04   -2.15537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20020e+04   -1.73363e+06    3.48149e+05   -1.38548e+06    3.25375e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12451e+02   -2.12036e+02    4.79297e+01    3.68670e-06

           Step           Time
      234685000   469370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20450e+03    1.79876e+04    1.21930e+04    1.08270e+03   -2.90455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55290e+03    1.04682e+05    2.80993e+05   -1.71936e+04   -2.15679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19763e+04   -1.73621e+06    3.46783e+05   -1.38943e+06    3.73500e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11224e+02   -2.12099e+02    5.60868e+01    3.49293e-06

           Step           Time
      234690000   469380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73712e+03    1.80827e+04    1.23233e+04    1.05818e+03   -2.80067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49422e+03    1.04516e+05    2.79039e+05   -1.72119e+04   -2.15477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17989e+04   -1.73573e+06    3.47122e+05   -1.38861e+06    3.55375e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11529e+02   -2.12549e+02   -1.05202e+02    3.53231e-06

           Step           Time
      234695000   469390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75580e+03    1.81693e+04    1.23100e+04    1.03057e+03   -2.83374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49680e+03    1.03860e+05    2.81196e+05   -1.71531e+04   -2.15553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21062e+04   -1.73460e+06    3.47390e+05   -1.38721e+06    4.20000e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11769e+02   -2.11102e+02    2.22291e+01    3.63856e-06

           Step           Time
      234700000   469400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71788e+03    1.82903e+04    1.21447e+04    1.03690e+03   -2.88160e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38092e+03    1.04204e+05    2.79422e+05   -1.71702e+04   -2.15400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20643e+04   -1.73479e+06    3.44885e+05   -1.38991e+06    4.48750e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09521e+02   -2.11522e+02   -1.18978e+02    3.53623e-06

           Step           Time
      234705000   469410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52816e+03    1.85713e+04    1.23496e+04    9.92798e+02   -3.03486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61026e+03    1.04474e+05    2.79533e+05   -1.72221e+04   -2.15539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18524e+04   -1.73573e+06    3.45919e+05   -1.38981e+06    4.89375e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10449e+02   -2.12801e+02    1.28214e+01    3.66033e-06

           Step           Time
      234710000   469420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35555e+03    1.81667e+04    1.23850e+04    1.15491e+03   -2.87193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47296e+03    1.04214e+05    2.79743e+05   -1.71927e+04   -2.15504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20341e+04   -1.73558e+06    3.46790e+05   -1.38879e+06    4.91875e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11231e+02   -2.12074e+02   -3.19214e+01    3.57626e-06

           Step           Time
      234715000   469430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55081e+03    1.79098e+04    1.22937e+04    1.02970e+03   -2.83386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46268e+03    1.04381e+05    2.81076e+05   -1.72230e+04   -2.15708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21054e+04   -1.73633e+06    3.44532e+05   -1.39180e+06    5.40250e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09204e+02   -2.12824e+02    2.22893e+00    3.53365e-06

           Step           Time
      234720000   469440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28358e+03    1.82357e+04    1.24683e+04    1.10381e+03   -2.94792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53286e+03    1.04459e+05    2.81161e+05   -1.72127e+04   -2.15627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19957e+04   -1.73519e+06    3.44908e+05   -1.39028e+06    5.88750e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09541e+02   -2.12570e+02    4.74389e+01    3.50595e-06

           Step           Time
      234725000   469450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39718e+03    1.84683e+04    1.22890e+04    9.72097e+02   -2.85408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60342e+03    1.03844e+05    2.82678e+05   -1.72165e+04   -2.15837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19872e+04   -1.73620e+06    3.46206e+05   -1.38999e+06    5.92625e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10706e+02   -2.12662e+02    1.38010e+02    3.64262e-06

           Step           Time
      234730000   469460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55246e+03    1.84124e+04    1.22323e+04    1.07861e+03   -2.87611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55429e+03    1.03936e+05    2.80294e+05   -1.71875e+04   -2.15252e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20374e+04   -1.73249e+06    3.47467e+05   -1.38502e+06    6.00875e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11838e+02   -2.11946e+02    6.73084e+01    3.54983e-06

           Step           Time
      234735000   469470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59609e+03    1.82099e+04    1.25851e+04    1.12240e+03   -2.84150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51543e+03    1.03840e+05    2.82305e+05   -1.71672e+04   -2.15612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21523e+04   -1.73380e+06    3.46978e+05   -1.38682e+06    6.83750e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11399e+02   -2.11448e+02    5.06432e+01    3.46182e-06

           Step           Time
      234740000   469480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51929e+03    1.86610e+04    1.24127e+04    1.17848e+03   -2.84050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56549e+03    1.04150e+05    2.81393e+05   -1.71714e+04   -2.15553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18995e+04   -1.73376e+06    3.47090e+05   -1.38667e+06    7.15875e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11500e+02   -2.11550e+02    4.00442e+01    3.73295e-06

           Step           Time
      234745000   469490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.22119e+03    1.86045e+04    1.22120e+04    1.07655e+03   -2.94671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67874e+03    1.04144e+05    2.79428e+05   -1.71874e+04   -2.15359e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21212e+04   -1.73424e+06    3.46080e+05   -1.38816e+06    7.24000e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10594e+02   -2.11946e+02    3.13977e+01    3.60958e-06

           Step           Time
      234750000   469500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40318e+03    1.84354e+04    1.21892e+04    1.09920e+03   -2.85481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56209e+03    1.04062e+05    2.81836e+05   -1.72187e+04   -2.15816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19464e+04   -1.73670e+06    3.46111e+05   -1.39059e+06    7.87750e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10622e+02   -2.12717e+02    6.13439e+01    3.51312e-06

           Step           Time
      234755000   469510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54088e+03    1.85262e+04    1.22215e+04    1.03255e+03   -2.74268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50080e+03    1.03925e+05    2.79553e+05   -1.71807e+04   -2.15127e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19885e+04   -1.73190e+06    3.46215e+05   -1.38568e+06    7.97875e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10715e+02   -2.11780e+02    1.41311e+01    3.60117e-06

           Step           Time
      234760000   469520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71488e+03    1.80922e+04    1.23131e+04    1.01724e+03   -2.86114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44370e+03    1.03813e+05    2.80991e+05   -1.71973e+04   -2.15572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21052e+04   -1.73528e+06    3.46187e+05   -1.38910e+06    7.93500e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10689e+02   -2.12189e+02    3.84884e+00    3.61520e-06

           Step           Time
      234765000   469530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55864e+03    1.85631e+04    1.23892e+04    1.04264e+03   -2.83347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55613e+03    1.03879e+05    2.80536e+05   -1.71405e+04   -2.15257e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20675e+04   -1.73196e+06    3.48701e+05   -1.38326e+06    8.22750e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12946e+02   -2.10792e+02   -1.59172e+01    3.67911e-06

           Step           Time
      234770000   469540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68649e+03    1.81236e+04    1.24676e+04    1.11451e+03   -2.89168e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44292e+03    1.03593e+05    2.82275e+05   -1.71937e+04   -2.15828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17853e+04   -1.73688e+06    3.46042e+05   -1.39084e+06    8.61625e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10559e+02   -2.12100e+02    4.13107e+01    3.42612e-06

           Step           Time
      234775000   469550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32708e+03    1.87002e+04    1.23230e+04    1.15474e+03   -2.90127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47226e+03    1.03797e+05    2.80744e+05   -1.71859e+04   -2.15386e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20314e+04   -1.73340e+06    3.46598e+05   -1.38680e+06    8.77625e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11059e+02   -2.11908e+02    1.30742e+01    3.37240e-06

           Step           Time
      234780000   469560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55325e+03    1.82316e+04    1.24401e+04    1.08310e+03   -2.96287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43671e+03    1.03767e+05    2.80304e+05   -1.71538e+04   -2.15587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21509e+04   -1.73602e+06    3.45637e+05   -1.39038e+06    9.27750e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10196e+02   -2.11118e+02   -1.22856e+02    3.60981e-06

           Step           Time
      234785000   469570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56278e+03    1.80319e+04    1.22949e+04    1.06716e+03   -2.76033e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50099e+03    1.04214e+05    2.79787e+05   -1.71710e+04   -2.15440e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20586e+04   -1.73481e+06    3.46773e+05   -1.38804e+06    9.32750e+02
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11215e+02   -2.11541e+02   -6.49479e+01    3.57647e-06

           Step           Time
      234790000   469580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53086e+03    1.83396e+04    1.22567e+04    1.15616e+03   -2.79059e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53671e+03    1.03933e+05    2.80459e+05   -1.72123e+04   -2.15380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19192e+04   -1.73367e+06    3.46881e+05   -1.38679e+06    1.00962e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11312e+02   -2.12558e+02    2.83852e+01    3.55015e-06

           Step           Time
      234795000   469590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49554e+03    1.88163e+04    1.22942e+04    1.02319e+03   -2.88917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49919e+03    1.03694e+05    2.80392e+05   -1.71883e+04   -2.15377e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19159e+04   -1.73371e+06    3.47641e+05   -1.38607e+06    1.03138e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11995e+02   -2.11967e+02    1.75262e+01    3.54980e-06

           Step           Time
      234800000   469600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44005e+03    1.84007e+04    1.20917e+04    1.08875e+03   -2.69799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56363e+03    1.03944e+05    2.80534e+05   -1.71793e+04   -2.15332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21020e+04   -1.73304e+06    3.47130e+05   -1.38591e+06    1.12962e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11535e+02   -2.11746e+02    5.14632e+01    3.39258e-06

           Step           Time
      234805000   469610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65996e+03    1.85764e+04    1.24493e+04    1.10463e+03   -2.77344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58031e+03    1.03393e+05    2.79969e+05   -1.72120e+04   -2.15126e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19900e+04   -1.73153e+06    3.45462e+05   -1.38606e+06    1.16538e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10039e+02   -2.12551e+02    6.81980e+01    3.48969e-06

           Step           Time
      234810000   469620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72876e+03    1.82797e+04    1.23726e+04    1.06123e+03   -2.76624e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40684e+03    1.03247e+05    2.79975e+05   -1.71777e+04   -2.15396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21370e+04   -1.73470e+06    3.46202e+05   -1.38850e+06    1.17000e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10703e+02   -2.11706e+02   -6.32412e+01    3.55329e-06

           Step           Time
      234815000   469630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46621e+03    1.84658e+04    1.22537e+04    1.04894e+03   -2.92030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50818e+03    1.03054e+05    2.81902e+05   -1.71726e+04   -2.15509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19939e+04   -1.73449e+06    3.47380e+05   -1.38711e+06    1.20400e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11760e+02   -2.11581e+02    8.53765e+01    3.58569e-06

           Step           Time
      234820000   469640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54618e+03    1.84241e+04    1.22258e+04    1.11590e+03   -2.83845e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50277e+03    1.03375e+05    2.78562e+05   -1.72003e+04   -2.15109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19984e+04   -1.73338e+06    3.45758e+05   -1.38762e+06    1.24125e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10305e+02   -2.12263e+02   -1.15743e+02    3.63077e-06

           Step           Time
      234825000   469650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26340e+03    1.81811e+04    1.24393e+04    1.14284e+03   -2.95601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61482e+03    1.03856e+05    2.80532e+05   -1.72161e+04   -2.15414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21279e+04   -1.73416e+06    3.47083e+05   -1.38707e+06    1.21938e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11494e+02   -2.12653e+02    8.66740e+01    3.51657e-06

           Step           Time
      234830000   469660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48447e+03    1.83398e+04    1.24098e+04    1.11905e+03   -2.97113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50654e+03    1.03335e+05    2.82817e+05   -1.71784e+04   -2.15739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18073e+04   -1.73572e+06    3.45004e+05   -1.39072e+06    1.27712e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09627e+02   -2.11724e+02    7.92330e+01    3.48297e-06

           Step           Time
      234835000   469670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69347e+03    1.80509e+04    1.22952e+04    1.06632e+03   -2.85068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48340e+03    1.03166e+05    2.81994e+05   -1.72508e+04   -2.15854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20280e+04   -1.73787e+06    3.45068e+05   -1.39280e+06    1.33600e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09685e+02   -2.13510e+02    3.60407e+01    3.36014e-06

           Step           Time
      234840000   469680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71225e+03    1.87373e+04    1.24897e+04    1.13461e+03   -2.91500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42553e+03    1.03206e+05    2.81033e+05   -1.72130e+04   -2.15470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18623e+04   -1.73423e+06    3.47751e+05   -1.38648e+06    1.34950e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12093e+02   -2.12576e+02    2.49637e+01    3.67938e-06

           Step           Time
      234845000   469690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62506e+03    1.84213e+04    1.23318e+04    1.06543e+03   -2.78470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38521e+03    1.03761e+05    2.80573e+05   -1.72312e+04   -2.15686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20070e+04   -1.73671e+06    3.48088e+05   -1.38862e+06    1.31850e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12395e+02   -2.13026e+02   -6.23761e+01    3.63593e-06

           Step           Time
      234850000   469700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58143e+03    1.83261e+04    1.26270e+04    1.04344e+03   -2.89112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49490e+03    1.03255e+05    2.78630e+05   -1.71504e+04   -2.15046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19673e+04   -1.73258e+06    3.47374e+05   -1.38520e+06    1.37950e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11755e+02   -2.11035e+02   -7.18410e+01    3.78652e-06

           Step           Time
      234855000   469710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40244e+03    1.80845e+04    1.24072e+04    1.06271e+03   -2.95804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51084e+03    1.03367e+05    2.81139e+05   -1.72033e+04   -2.15727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19296e+04   -1.73753e+06    3.46510e+05   -1.39102e+06    1.37150e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10979e+02   -2.12336e+02   -1.87722e+00    3.31100e-06

           Step           Time
      234860000   469720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67300e+03    1.79340e+04    1.22425e+04    1.04006e+03   -2.82367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57315e+03    1.03701e+05    2.80234e+05   -1.71880e+04   -2.15463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23091e+04   -1.73493e+06    3.48132e+05   -1.38680e+06    1.40012e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12435e+02   -2.11960e+02    4.01560e+00    3.55932e-06

           Step           Time
      234865000   469730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28369e+03    1.83717e+04    1.23604e+04    1.00385e+03   -2.90102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54623e+03    1.03563e+05    2.80821e+05   -1.72060e+04   -2.15457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19062e+04   -1.73482e+06    3.47606e+05   -1.38722e+06    1.40125e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11963e+02   -2.12402e+02    4.07219e+01    3.74670e-06

           Step           Time
      234870000   469740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63978e+03    1.84899e+04    1.25700e+04    1.08515e+03   -2.90442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45468e+03    1.03274e+05    2.80434e+05   -1.71717e+04   -2.15329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21747e+04   -1.73324e+06    3.46610e+05   -1.38663e+06    1.44550e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11069e+02   -2.11559e+02   -4.22285e+00    3.76931e-06

           Step           Time
      234875000   469750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56985e+03    1.83201e+04    1.23937e+04    1.03706e+03   -2.92181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65118e+03    1.03531e+05    2.82713e+05   -1.72175e+04   -2.15884e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20825e+04   -1.73668e+06    3.45774e+05   -1.39090e+06    1.52075e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10319e+02   -2.12688e+02    1.09686e+02    3.46589e-06

           Step           Time
      234880000   469760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49267e+03    1.83736e+04    1.24790e+04    1.13031e+03   -2.81957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40768e+03    1.04123e+05    2.80453e+05   -1.71776e+04   -2.15384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18955e+04   -1.73348e+06    3.48055e+05   -1.38543e+06    1.51862e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12366e+02   -2.11703e+02   -1.56715e+01    3.53158e-06

           Step           Time
      234885000   469770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56121e+03    1.85829e+04    1.22924e+04    1.11633e+03   -2.91566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45807e+03    1.03892e+05    2.82577e+05   -1.71927e+04   -2.15790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22482e+04   -1.73528e+06    3.47534e+05   -1.38774e+06    1.53625e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11898e+02   -2.12076e+02    2.64973e+01    3.59964e-06

           Step           Time
      234890000   469780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61703e+03    1.81412e+04    1.24519e+04    1.06004e+03   -2.89398e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46104e+03    1.03656e+05    2.80491e+05   -1.72414e+04   -2.15877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18898e+04   -1.73914e+06    3.47375e+05   -1.39176e+06    1.54950e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11756e+02   -2.13276e+02   -5.27189e+01    3.53586e-06

           Step           Time
      234895000   469790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63800e+03    1.85118e+04    1.23174e+04    1.08450e+03   -2.82076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51043e+03    1.03884e+05    2.81756e+05   -1.72257e+04   -2.15528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20168e+04   -1.73360e+06    3.47468e+05   -1.38614e+06    1.60212e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11839e+02   -2.12889e+02    1.20755e+02    3.66146e-06

           Step           Time
      234900000   469800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30104e+03    1.79449e+04    1.22933e+04    1.16777e+03   -2.82422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64871e+03    1.04216e+05    2.81344e+05   -1.72047e+04   -2.15805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20248e+04   -1.73714e+06    3.44787e+05   -1.39235e+06    1.63075e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09433e+02   -2.12371e+02    4.01847e+01    3.59436e-06

           Step           Time
      234905000   469810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41494e+03    1.82765e+04    1.22607e+04    1.07871e+03   -2.82243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56177e+03    1.04319e+05    2.81676e+05   -1.72292e+04   -2.15714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20646e+04   -1.73554e+06    3.46381e+05   -1.38916e+06    1.65888e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10863e+02   -2.12977e+02    1.23804e+02    3.67375e-06

           Step           Time
      234910000   469820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53116e+03    1.82717e+04    1.22535e+04    1.02072e+03   -2.70906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55759e+03    1.03711e+05    2.82388e+05   -1.72105e+04   -2.15701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19452e+04   -1.73525e+06    3.45680e+05   -1.38957e+06    1.70550e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10234e+02   -2.12514e+02    7.63564e+01    3.41299e-06

           Step           Time
      234915000   469830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54692e+03    1.80525e+04    1.23060e+04    1.06896e+03   -2.79356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59032e+03    1.04159e+05    2.79529e+05   -1.71858e+04   -2.15319e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19765e+04   -1.73394e+06    3.46886e+05   -1.38705e+06    1.70350e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11317e+02   -2.11905e+02   -4.68493e+01    3.62395e-06

           Step           Time
      234920000   469840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50921e+03    1.79721e+04    1.22968e+04    1.07522e+03   -2.90105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42054e+03    1.04351e+05    2.83387e+05   -1.72234e+04   -2.15911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19781e+04   -1.73624e+06    3.47710e+05   -1.38853e+06    1.73225e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12056e+02   -2.12833e+02    1.34279e+02    3.40733e-06

           Step           Time
      234925000   469850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48805e+03    1.81917e+04    1.21149e+04    1.09548e+03   -2.71927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41341e+03    1.04063e+05    2.78981e+05   -1.71553e+04   -2.15257e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18594e+04   -1.73424e+06    3.44387e+05   -1.38985e+06    1.77038e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09074e+02   -2.11154e+02   -1.37949e+02    3.50185e-06

           Step           Time
      234930000   469860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54174e+03    1.78315e+04    1.24608e+04    1.07355e+03   -2.93158e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36250e+03    1.04330e+05    2.80227e+05   -1.72324e+04   -2.15839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19312e+04   -1.73879e+06    3.47053e+05   -1.39174e+06    1.77575e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11467e+02   -2.13055e+02   -5.21271e+01    3.60993e-06

           Step           Time
      234935000   469870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29954e+03    1.84704e+04    1.22798e+04    1.09326e+03   -2.85654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58283e+03    1.04157e+05    2.81510e+05   -1.71805e+04   -2.15718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20224e+04   -1.73580e+06    3.45121e+05   -1.39068e+06    1.87100e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09733e+02   -2.11774e+02   -2.18252e+00    3.39900e-06

           Step           Time
      234940000   469880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50359e+03    1.83616e+04    1.25151e+04    1.07969e+03   -2.95285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39980e+03    1.04260e+05    2.78959e+05   -1.72110e+04   -2.15170e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21331e+04   -1.73266e+06    3.47247e+05   -1.38541e+06    1.87250e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11641e+02   -2.12526e+02   -7.13709e+00    3.66478e-06

           Step           Time
      234945000   469890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46810e+03    1.83257e+04    1.24191e+04    1.23480e+03   -2.83554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38203e+03    1.04037e+05    2.80513e+05   -1.72169e+04   -2.15349e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19480e+04   -1.73321e+06    3.46377e+05   -1.38684e+06    1.93150e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10860e+02   -2.12673e+02   -1.44193e+01    3.60864e-06

           Step           Time
      234950000   469900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56903e+03    1.80619e+04    1.22990e+04    1.05601e+03   -2.97150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49068e+03    1.03912e+05    2.85450e+05   -1.71924e+04   -2.16201e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20036e+04   -1.73733e+06    3.45065e+05   -1.39227e+06    1.97100e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09682e+02   -2.12068e+02    1.26035e+02    3.26151e-06

           Step           Time
      234955000   469910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56651e+03    1.85926e+04    1.23138e+04    1.22453e+03   -2.94675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34380e+03    1.04111e+05    2.79265e+05   -1.72111e+04   -2.15453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21727e+04   -1.73509e+06    3.45320e+05   -1.38977e+06    1.99075e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09911e+02   -2.12529e+02   -6.91690e+01    3.50890e-06

           Step           Time
      234960000   469920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61033e+03    1.85536e+04    1.22545e+04    1.02266e+03   -2.94468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52445e+03    1.04271e+05    2.82727e+05   -1.72065e+04   -2.15746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21348e+04   -1.73451e+06    3.45129e+05   -1.38939e+06    2.04488e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09740e+02   -2.12415e+02    1.29727e+02    3.46330e-06

           Step           Time
      234965000   469930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42563e+03    1.84379e+04    1.22142e+04    1.08941e+03   -3.00957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57481e+03    1.03541e+05    2.81615e+05   -1.71601e+04   -2.15458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18605e+04   -1.73399e+06    3.48315e+05   -1.38568e+06    2.03112e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12600e+02   -2.11272e+02    1.25383e+02    3.54515e-06

           Step           Time
      234970000   469940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59052e+03    1.77468e+04    1.23873e+04    1.06557e+03   -2.88016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66567e+03    1.04472e+05    2.81837e+05   -1.71956e+04   -2.15690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19353e+04   -1.73527e+06    3.47141e+05   -1.38813e+06    2.10388e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11545e+02   -2.12146e+02    4.98185e+01    3.47154e-06

           Step           Time
      234975000   469950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36687e+03    1.80589e+04    1.23573e+04    1.11303e+03   -2.90458e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48549e+03    1.03703e+05    2.81485e+05   -1.71999e+04   -2.15598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18605e+04   -1.73566e+06    3.45573e+05   -1.39008e+06    2.09175e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10138e+02   -2.12254e+02    3.31524e+01    3.40849e-06

           Step           Time
      234980000   469960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49857e+03    1.82896e+04    1.23692e+04    9.86524e+02   -2.78147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50410e+03    1.04083e+05    2.81444e+05   -1.72407e+04   -2.15690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18762e+04   -1.73587e+06    3.45877e+05   -1.38999e+06    2.16762e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10411e+02   -2.13259e+02    1.30448e+02    3.56852e-06

           Step           Time
      234985000   469970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47075e+03    1.85941e+04    1.22749e+04    1.09751e+03   -2.90925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65554e+03    1.03930e+05    2.80310e+05   -1.71847e+04   -2.15525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21000e+04   -1.73491e+06    3.46793e+05   -1.38812e+06    2.19438e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11234e+02   -2.11878e+02    1.48060e+01    3.41713e-06

           Step           Time
      234990000   469980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55053e+03    1.79144e+04    1.23426e+04    1.07925e+03   -2.83205e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37429e+03    1.03711e+05    2.79240e+05   -1.71718e+04   -2.15237e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20354e+04   -1.73413e+06    3.47453e+05   -1.38668e+06    2.15975e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11825e+02   -2.11561e+02   -9.98076e+01    3.53285e-06

           Step           Time
      234995000   469990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44925e+03    1.79078e+04    1.24138e+04    1.02452e+03   -2.91718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55647e+03    1.04203e+05    2.82841e+05   -1.71758e+04   -2.15921e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20130e+04   -1.73689e+06    3.44376e+05   -1.39252e+06    2.24338e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09064e+02   -2.11659e+02    4.11970e+01    3.52376e-06

           Step           Time
      235000000   470000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45885e+03    1.84073e+04    1.23044e+04    1.04650e+03   -2.79849e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54014e+03    1.03888e+05    2.78252e+05   -1.71719e+04   -2.15183e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20910e+04   -1.73381e+06    3.47354e+05   -1.38646e+06    2.22475e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11737e+02   -2.11563e+02   -1.04919e+02    3.53412e-06

           Step           Time
      235005000   470010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70339e+03    1.82916e+04    1.23800e+04    1.08553e+03   -2.91821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54031e+03    1.03800e+05    2.78217e+05   -1.72245e+04   -2.15418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19611e+04   -1.73634e+06    3.45442e+05   -1.39090e+06    2.23775e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10021e+02   -2.12859e+02   -1.37787e+02    3.44986e-06

           Step           Time
      235010000   470020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47472e+03    1.82265e+04    1.23913e+04    1.04786e+03   -2.88501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65908e+03    1.04510e+05    2.81040e+05   -1.72149e+04   -2.15462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17750e+04   -1.73360e+06    3.48351e+05   -1.38525e+06    2.28550e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12632e+02   -2.12622e+02    1.16071e+02    3.42376e-06

           Step           Time
      235015000   470030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45866e+03    1.79369e+04    1.22557e+04    1.04053e+03   -2.92176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55032e+03    1.04798e+05    2.80902e+05   -1.71814e+04   -2.15549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21159e+04   -1.73453e+06    3.47301e+05   -1.38723e+06    2.29775e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11689e+02   -2.11797e+02    1.89786e+01    3.59997e-06

           Step           Time
      235020000   470040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40249e+03    1.83803e+04    1.22496e+04    1.15898e+03   -2.91620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42015e+03    1.04409e+05    2.80376e+05   -1.71857e+04   -2.15374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19268e+04   -1.73352e+06    3.46901e+05   -1.38662e+06    2.32625e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11330e+02   -2.11903e+02    5.84962e+01    3.37928e-06

           Step           Time
      235025000   470050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61800e+03    1.79113e+04    1.23103e+04    1.05535e+03   -2.87652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49032e+03    1.04441e+05    2.81075e+05   -1.71815e+04   -2.15449e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21744e+04   -1.73348e+06    3.44291e+05   -1.38919e+06    2.34338e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08988e+02   -2.11800e+02   -4.38034e+01    3.54398e-06

           Step           Time
      235030000   470060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64861e+03    1.82588e+04    1.22440e+04    1.06343e+03   -2.96823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47710e+03    1.04260e+05    2.81824e+05   -1.72158e+04   -2.15730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19520e+04   -1.73576e+06    3.46630e+05   -1.38913e+06    2.38862e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11087e+02   -2.12645e+02   -1.73626e+00    3.45002e-06

           Step           Time
      235035000   470070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38949e+03    1.80057e+04    1.22846e+04    1.09714e+03   -2.82030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45632e+03    1.04647e+05    2.82245e+05   -1.71859e+04   -2.15717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20233e+04   -1.73503e+06    3.45800e+05   -1.38923e+06    2.39138e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10342e+02   -2.11907e+02    8.14172e+01    3.61879e-06

           Step           Time
      235040000   470080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49095e+03    1.81058e+04    1.24118e+04    1.13664e+03   -2.79173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37366e+03    1.03989e+05    2.80903e+05   -1.71694e+04   -2.15668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20674e+04   -1.73616e+06    3.46442e+05   -1.38972e+06    2.41625e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10919e+02   -2.11502e+02   -2.33878e+01    3.55386e-06

           Step           Time
      235045000   470090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54204e+03    1.79546e+04    1.23358e+04    1.08498e+03   -2.83192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56679e+03    1.04141e+05    2.78679e+05   -1.71777e+04   -2.15065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20841e+04   -1.73227e+06    3.47657e+05   -1.38461e+06    2.42625e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12009e+02   -2.11705e+02   -3.71258e+01    3.48042e-06

           Step           Time
      235050000   470100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52707e+03    1.80939e+04    1.26314e+04    1.07435e+03   -2.86962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34653e+03    1.04232e+05    2.82390e+05   -1.72141e+04   -2.15829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20456e+04   -1.73604e+06    3.45603e+05   -1.39043e+06    2.48312e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10165e+02   -2.12603e+02    6.17780e+01    3.55103e-06

           Step           Time
      235055000   470110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40224e+03    1.82982e+04    1.25297e+04    1.13697e+03   -2.92709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42516e+03    1.04038e+05    2.83323e+05   -1.71888e+04   -2.15713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18794e+04   -1.73422e+06    3.46972e+05   -1.38724e+06    2.45112e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11394e+02   -2.11979e+02    1.09626e+02    3.37323e-06

           Step           Time
      235060000   470120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57238e+03    1.82757e+04    1.24166e+04    1.04659e+03   -2.89083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42237e+03    1.04531e+05    2.79148e+05   -1.71890e+04   -2.15192e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19425e+04   -1.73264e+06    3.46580e+05   -1.38606e+06    2.48712e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11042e+02   -2.11985e+02   -1.77390e+01    3.39341e-06

           Step           Time
      235065000   470130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40209e+03    1.78458e+04    1.25207e+04    1.13347e+03   -2.71734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56348e+03    1.03845e+05    2.81342e+05   -1.72099e+04   -2.15773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20754e+04   -1.73693e+06    3.46649e+05   -1.39028e+06    2.52262e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11104e+02   -2.12500e+02    9.91500e+01    3.56325e-06

           Step           Time
      235070000   470140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60962e+03    1.83304e+04    1.24054e+04    1.11129e+03   -2.90068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48502e+03    1.04302e+05    2.80788e+05   -1.72200e+04   -2.15321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19357e+04   -1.73237e+06    3.48004e+05   -1.38436e+06    2.56200e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12320e+02   -2.12750e+02    9.14459e+01    3.53646e-06

           Step           Time
      235075000   470150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45206e+03    1.85078e+04    1.22390e+04    9.85872e+02   -2.82616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53354e+03    1.04180e+05    2.81601e+05   -1.71553e+04   -2.15808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19454e+04   -1.73662e+06    3.46294e+05   -1.39033e+06    2.59988e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10786e+02   -2.11154e+02    5.86020e+01    3.58432e-06

           Step           Time
      235080000   470160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36990e+03    1.81290e+04    1.22851e+04    1.11284e+03   -2.87020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52481e+03    1.04386e+05    2.80036e+05   -1.72040e+04   -2.15775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20336e+04   -1.73794e+06    3.47122e+05   -1.39082e+06    2.55362e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11529e+02   -2.12355e+02   -8.06502e+01    3.51418e-06

           Step           Time
      235085000   470170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56332e+03    1.82701e+04    1.23511e+04    1.17554e+03   -2.78609e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41031e+03    1.03921e+05    2.81444e+05   -1.72208e+04   -2.15640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19312e+04   -1.73534e+06    3.46796e+05   -1.38855e+06    2.60075e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11236e+02   -2.12767e+02   -1.41209e+01    3.48359e-06

           Step           Time
      235090000   470180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49257e+03    1.85458e+04    1.21848e+04    1.08669e+03   -2.86596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48383e+03    1.04470e+05    2.81393e+05   -1.71814e+04   -2.15699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20269e+04   -1.73535e+06    3.45657e+05   -1.38970e+06    2.66275e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10214e+02   -2.11798e+02   -3.65428e+01    3.45745e-06

           Step           Time
      235095000   470190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67733e+03    1.80283e+04    1.24778e+04    1.15254e+03   -2.86931e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40421e+03    1.04165e+05    2.82390e+05   -1.71926e+04   -2.15834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18773e+04   -1.73623e+06    3.47655e+05   -1.38858e+06    2.65538e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12007e+02   -2.12073e+02    4.45566e+01    3.53981e-06

           Step           Time
      235100000   470200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66786e+03    1.81562e+04    1.23170e+04    1.09618e+03   -2.84348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48544e+03    1.03914e+05    2.79760e+05   -1.71577e+04   -2.15615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19937e+04   -1.73676e+06    3.46016e+05   -1.39074e+06    2.73662e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10536e+02   -2.11214e+02   -8.03063e+01    3.40265e-06

Writing checkpoint, step 235102200 at Fri Dec  1 23:38:07 2023


           Step           Time
      235105000   470210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42513e+03    1.82280e+04    1.24600e+04    1.10004e+03   -2.82331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48128e+03    1.03576e+05    2.79968e+05   -1.71960e+04   -2.15505e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21029e+04   -1.73573e+06    3.45717e+05   -1.39001e+06    2.72250e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10267e+02   -2.12156e+02   -1.10934e+02    3.60207e-06

           Step           Time
      235110000   470220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65569e+03    1.80953e+04    1.22242e+04    1.14360e+03   -2.73176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44132e+03    1.04113e+05    2.80057e+05   -1.71695e+04   -2.15372e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20787e+04   -1.73381e+06    3.47467e+05   -1.38635e+06    2.75538e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11838e+02   -2.11504e+02   -3.42742e+01    3.58647e-06

           Step           Time
      235115000   470230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27304e+03    1.81632e+04    1.23497e+04    1.18022e+03   -2.86728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51568e+03    1.03796e+05    2.80003e+05   -1.71670e+04   -2.15535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20024e+04   -1.73610e+06    3.45039e+05   -1.39107e+06    2.78638e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09659e+02   -2.11442e+02   -3.26154e+01    3.49171e-06

           Step           Time
      235120000   470240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39738e+03    1.78336e+04    1.24083e+04    1.05914e+03   -2.88431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56411e+03    1.04349e+05    2.81884e+05   -1.72538e+04   -2.15942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18884e+04   -1.73817e+06    3.46256e+05   -1.39192e+06    2.80350e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10751e+02   -2.13585e+02    6.01174e+01    3.47026e-06

           Step           Time
      235125000   470250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77999e+03    1.79273e+04    1.24391e+04    1.11240e+03   -2.76069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56254e+03    1.04119e+05    2.81249e+05   -1.71871e+04   -2.15438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19302e+04   -1.73321e+06    3.46163e+05   -1.38705e+06    2.87825e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10668e+02   -2.11937e+02    5.15919e+01    3.46517e-06

           Step           Time
      235130000   470260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57782e+03    1.84522e+04    1.23048e+04    9.83458e+02   -2.73244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39126e+03    1.04032e+05    2.81820e+05   -1.71835e+04   -2.15460e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21141e+04   -1.73284e+06    3.48293e+05   -1.38455e+06    2.87662e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12580e+02   -2.11848e+02    7.49251e+01    3.64299e-06

           Step           Time
      235135000   470270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62668e+03    1.81867e+04    1.23664e+04    1.06989e+03   -2.83092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45519e+03    1.03457e+05    2.79399e+05   -1.71603e+04   -2.15284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19237e+04   -1.73435e+06    3.46693e+05   -1.38765e+06    2.87362e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11143e+02   -2.11278e+02   -1.01318e+02    3.48572e-06

           Step           Time
      235140000   470280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60431e+03    1.81764e+04    1.23919e+04    1.00426e+03   -2.84058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45982e+03    1.04042e+05    2.80178e+05   -1.72061e+04   -2.15422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19785e+04   -1.73443e+06    3.47408e+05   -1.38702e+06    2.92012e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11785e+02   -2.12406e+02    4.53087e+01    3.49338e-06

           Step           Time
      235145000   470290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53894e+03    1.80796e+04    1.23388e+04    1.12396e+03   -2.91620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41611e+03    1.04226e+05    2.79783e+05   -1.72154e+04   -2.15374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19178e+04   -1.73444e+06    3.46295e+05   -1.38815e+06    2.95012e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10786e+02   -2.12636e+02   -2.20738e+01    3.73793e-06

           Step           Time
      235150000   470300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73474e+03    1.81302e+04    1.21536e+04    1.00687e+03   -2.96531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39136e+03    1.04203e+05    2.79994e+05   -1.72153e+04   -2.15448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19542e+04   -1.73509e+06    3.45280e+05   -1.38981e+06    3.03675e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09875e+02   -2.12631e+02   -7.87544e+01    3.38141e-06

           Step           Time
      235155000   470310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44176e+03    1.83539e+04    1.22596e+04    1.05664e+03   -2.87287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44978e+03    1.04420e+05    2.82426e+05   -1.71541e+04   -2.15644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19841e+04   -1.73407e+06    3.47664e+05   -1.38641e+06    3.00125e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12015e+02   -2.11126e+02    6.83381e+01    3.62237e-06

           Step           Time
      235160000   470320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52249e+03    1.82956e+04    1.23479e+04    1.05572e+03   -2.84013e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41843e+03    1.03747e+05    2.80375e+05   -1.71792e+04   -2.15391e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20724e+04   -1.73409e+06    3.46047e+05   -1.38805e+06    3.03262e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10563e+02   -2.11744e+02   -1.78562e+01    3.43910e-06

           Step           Time
      235165000   470330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57464e+03    1.81314e+04    1.23234e+04    1.15715e+03   -2.85122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45173e+03    1.03949e+05    2.79721e+05   -1.71924e+04   -2.15410e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18570e+04   -1.73498e+06    3.44534e+05   -1.39045e+06    3.07888e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09206e+02   -2.12069e+02   -6.00425e+01    3.38758e-06

           Step           Time
      235170000   470340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46801e+03    1.76081e+04    1.22610e+04    1.08337e+03   -2.80453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41654e+03    1.03853e+05    2.81069e+05   -1.71855e+04   -2.15807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19061e+04   -1.73839e+06    3.44647e+05   -1.39374e+06    3.05088e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09307e+02   -2.11897e+02   -4.21231e+01    3.47995e-06

           Step           Time
      235175000   470350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49035e+03    1.81060e+04    1.23000e+04    1.11799e+03   -2.85983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55790e+03    1.03866e+05    2.79002e+05   -1.71550e+04   -2.15274e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19708e+04   -1.73435e+06    3.46218e+05   -1.38813e+06    3.07950e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10717e+02   -2.11148e+02   -8.64501e+01    3.61062e-06

           Step           Time
      235180000   470360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63406e+03    1.85658e+04    1.23280e+04    1.06960e+03   -2.93240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41389e+03    1.03485e+05    2.80156e+05   -1.71934e+04   -2.15492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20242e+04   -1.73537e+06    3.46397e+05   -1.38897e+06    3.16250e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10878e+02   -2.12092e+02   -6.28010e+01    3.36886e-06

           Step           Time
      235185000   470370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41966e+03    1.82393e+04    1.24138e+04    1.11375e+03   -2.83796e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44838e+03    1.03548e+05    2.79221e+05   -1.71483e+04   -2.15208e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19991e+04   -1.73367e+06    3.46554e+05   -1.38711e+06    3.10250e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11019e+02   -2.10982e+02   -6.80672e+01    3.57649e-06

           Step           Time
      235190000   470380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44196e+03    1.79309e+04    1.22533e+04    1.12243e+03   -2.84334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43943e+03    1.04130e+05    2.81074e+05   -1.71394e+04   -2.15426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19440e+04   -1.73390e+06    3.46006e+05   -1.38790e+06    3.11012e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10527e+02   -2.10763e+02    3.01811e+00    3.46605e-06

           Step           Time
      235195000   470390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73934e+03    1.82328e+04    1.20316e+04    1.07368e+03   -2.74515e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47841e+03    1.04254e+05    2.76936e+05   -1.71537e+04   -2.15085e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20338e+04   -1.73397e+06    3.46571e+05   -1.38740e+06    3.21550e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11034e+02   -2.11116e+02   -1.26925e+02    3.50056e-06

           Step           Time
      235200000   470400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66179e+03    1.85744e+04    1.22180e+04    1.15947e+03   -2.82978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58040e+03    1.03536e+05    2.77997e+05   -1.71907e+04   -2.15005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20071e+04   -1.73234e+06    3.47154e+05   -1.38518e+06    3.25212e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11558e+02   -2.12026e+02   -2.62479e+01    3.44123e-06

           Step           Time
      235205000   470410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44902e+03    1.79704e+04    1.22490e+04    1.02602e+03   -2.76923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59328e+03    1.04533e+05    2.80971e+05   -1.71996e+04   -2.15423e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19413e+04   -1.73347e+06    3.42972e+05   -1.39049e+06    3.22425e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07804e+02   -2.12246e+02    5.47524e+01    3.53118e-06

           Step           Time
      235210000   470420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35377e+03    1.85507e+04    1.23360e+04    1.14643e+03   -2.82002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55373e+03    1.03836e+05    2.79651e+05   -1.71819e+04   -2.15327e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19595e+04   -1.73388e+06    3.47145e+05   -1.38674e+06    3.24975e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11549e+02   -2.11810e+02   -5.51028e+00    3.49136e-06

           Step           Time
      235215000   470430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29301e+03    1.82705e+04    1.22555e+04    1.13171e+03   -2.80361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56403e+03    1.04475e+05    2.82721e+05   -1.71766e+04   -2.15783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21690e+04   -1.73493e+06    3.46774e+05   -1.38815e+06    3.27750e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11216e+02   -2.11678e+02    5.68262e+01    3.60852e-06

           Step           Time
      235220000   470440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50632e+03    1.80570e+04    1.22881e+04    1.06583e+03   -2.86181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61203e+03    1.04241e+05    2.81654e+05   -1.72009e+04   -2.15626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19593e+04   -1.73494e+06    3.47563e+05   -1.38738e+06    3.29288e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11924e+02   -2.12277e+02    9.21702e+01    3.48869e-06

           Step           Time
      235225000   470450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77707e+03    1.84342e+04    1.23042e+04    1.07013e+03   -2.81630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47569e+03    1.03955e+05    2.81995e+05   -1.71648e+04   -2.15532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20379e+04   -1.73326e+06    3.46274e+05   -1.38698e+06    3.33125e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10767e+02   -2.11387e+02    5.06085e+01    3.49585e-06

           Step           Time
      235230000   470460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74335e+03    1.80230e+04    1.23350e+04    9.13574e+02   -2.76920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44779e+03    1.03973e+05    2.78705e+05   -1.71961e+04   -2.15296e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20705e+04   -1.73472e+06    3.46336e+05   -1.38838e+06    3.33800e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10823e+02   -2.12158e+02   -6.29115e+01    3.41723e-06

           Step           Time
      235235000   470470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70615e+03    1.80279e+04    1.24469e+04    1.05557e+03   -2.76023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53354e+03    1.03907e+05    2.80649e+05   -1.72236e+04   -2.15360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20512e+04   -1.73321e+06    3.46979e+05   -1.38623e+06    3.35938e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11400e+02   -2.12838e+02    9.31914e+01    3.51067e-06

           Step           Time
      235240000   470480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36853e+03    1.78514e+04    1.23437e+04    1.11015e+03   -2.70799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46239e+03    1.03902e+05    2.82931e+05   -1.72174e+04   -2.15945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17953e+04   -1.73761e+06    3.46294e+05   -1.39131e+06    3.36525e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10786e+02   -2.12684e+02    1.00876e+02    3.52373e-06

           Step           Time
      235245000   470490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56886e+03    1.82888e+04    1.22435e+04    1.11723e+03   -2.84769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44755e+03    1.03996e+05    2.82558e+05   -1.71691e+04   -2.15713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19826e+04   -1.73494e+06    3.47064e+05   -1.38788e+06    3.40162e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11476e+02   -2.11494e+02   -6.93078e+00    3.56093e-06

           Step           Time
      235250000   470500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46525e+03    1.88089e+04    1.22813e+04    1.08216e+03   -2.76304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50690e+03    1.04273e+05    2.80371e+05   -1.71886e+04   -2.15470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21391e+04   -1.73372e+06    3.46593e+05   -1.38713e+06    3.46325e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11054e+02   -2.11974e+02    4.24740e+01    3.54273e-06

           Step           Time
      235255000   470510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57328e+03    1.81399e+04    1.24676e+04    9.82135e+02   -2.84907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49248e+03    1.03734e+05    2.82925e+05   -1.72557e+04   -2.15896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20532e+04   -1.73670e+06    3.46364e+05   -1.39034e+06    3.48825e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10848e+02   -2.13631e+02    1.23087e+02    3.50514e-06

           Step           Time
      235260000   470520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24691e+03    1.84143e+04    1.22816e+04    1.05324e+03   -2.82931e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55149e+03    1.03867e+05    2.80077e+05   -1.72232e+04   -2.15600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19853e+04   -1.73658e+06    3.45138e+05   -1.39144e+06    3.50700e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09748e+02   -2.12827e+02   -3.92209e+01    3.48252e-06

           Step           Time
      235265000   470530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40387e+03    1.81912e+04    1.22749e+04    1.06349e+03   -2.86412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53413e+03    1.04044e+05    2.81458e+05   -1.71622e+04   -2.15719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20116e+04   -1.73624e+06    3.47068e+05   -1.38917e+06    3.48475e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11480e+02   -2.11324e+02   -7.30917e+00    3.47835e-06

           Step           Time
      235270000   470540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39952e+03    1.83968e+04    1.23013e+04    1.04289e+03   -2.82652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58989e+03    1.04375e+05    2.80100e+05   -1.71838e+04   -2.15495e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18263e+04   -1.73493e+06    3.48110e+05   -1.38682e+06    3.56762e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12415e+02   -2.11855e+02    1.76512e+01    3.53284e-06

           Step           Time
      235275000   470550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66626e+03    1.84302e+04    1.23435e+04    1.04059e+03   -2.80468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48394e+03    1.03776e+05    2.78476e+05   -1.71630e+04   -2.15024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21081e+04   -1.73188e+06    3.46766e+05   -1.38512e+06    3.55125e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11209e+02   -2.11343e+02   -4.42957e+01    3.72429e-06

           Step           Time
      235280000   470560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35326e+03    1.82536e+04    1.23398e+04    1.11264e+03   -2.86408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42818e+03    1.03901e+05    2.80104e+05   -1.71748e+04   -2.15490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18539e+04   -1.73559e+06    3.47015e+05   -1.38858e+06    3.57550e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11433e+02   -2.11635e+02   -4.46884e+01    3.39188e-06

           Step           Time
      235285000   470570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34823e+03    1.84861e+04    1.21959e+04    1.08943e+03   -2.78558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49862e+03    1.04282e+05    2.78747e+05   -1.71464e+04   -2.15394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20224e+04   -1.73520e+06    3.47316e+05   -1.38789e+06    3.60538e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11703e+02   -2.10935e+02   -1.16128e+02    3.46877e-06

           Step           Time
      235290000   470580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70635e+03    1.84242e+04    1.26444e+04    1.08975e+03   -2.81461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52893e+03    1.04235e+05    2.81148e+05   -1.71868e+04   -2.15599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19206e+04   -1.73429e+06    3.47588e+05   -1.38670e+06    3.71362e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11947e+02   -2.11930e+02   -2.08897e+01    3.64663e-06

           Step           Time
      235295000   470590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38466e+03    1.83976e+04    1.24543e+04    1.17428e+03   -2.87172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53883e+03    1.04616e+05    2.80211e+05   -1.71825e+04   -2.15590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22584e+04   -1.73492e+06    3.47313e+05   -1.38761e+06    3.71738e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11700e+02   -2.11823e+02   -2.09577e+01    3.55570e-06

           Step           Time
      235300000   470600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66750e+03    1.84078e+04    1.26349e+04    1.04440e+03   -2.97498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55669e+03    1.03455e+05    2.75971e+05   -1.71558e+04   -2.14671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22255e+04   -1.73088e+06    3.46702e+05   -1.38417e+06    3.74088e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11152e+02   -2.11168e+02   -1.96129e+02    3.60296e-06

           Step           Time
      235305000   470610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36590e+03    1.88254e+04    1.23379e+04    1.12105e+03   -2.74728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51794e+03    1.04118e+05    2.81659e+05   -1.72229e+04   -2.15754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18661e+04   -1.73570e+06    3.46052e+05   -1.38964e+06    3.82025e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10569e+02   -2.12819e+02    1.02017e+02    3.41459e-06

           Step           Time
      235310000   470620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40448e+03    1.79882e+04    1.21249e+04    1.01229e+03   -2.79000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50817e+03    1.04185e+05    2.81002e+05   -1.71988e+04   -2.15907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17775e+04   -1.73906e+06    3.45783e+05   -1.39327e+06    3.78312e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10326e+02   -2.12226e+02    5.64554e+00    3.54653e-06

           Step           Time
      235315000   470630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37285e+03    1.84352e+04    1.22870e+04    1.00258e+03   -2.96987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39311e+03    1.03762e+05    2.78718e+05   -1.71456e+04   -2.15412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17971e+04   -1.73646e+06    3.44056e+05   -1.39241e+06    3.82875e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08777e+02   -2.10918e+02   -1.52521e+02    3.54290e-06

           Step           Time
      235320000   470640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53094e+03    1.79927e+04    1.25783e+04    1.05750e+03   -2.77744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56247e+03    1.03971e+05    2.79561e+05   -1.71880e+04   -2.15498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19248e+04   -1.73576e+06    3.47016e+05   -1.38875e+06    3.88562e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11433e+02   -2.11959e+02    3.12616e+01    3.64090e-06

           Step           Time
      235325000   470650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42264e+03    1.83852e+04    1.21290e+04    1.09154e+03   -2.79002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44111e+03    1.04404e+05    2.77444e+05   -1.72032e+04   -2.15233e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20277e+04   -1.73498e+06    3.45589e+05   -1.38939e+06    3.92512e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10153e+02   -2.12335e+02   -6.47839e+01    3.49846e-06

           Step           Time
      235330000   470660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75089e+03    1.87100e+04    1.24086e+04    1.10277e+03   -2.87876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38225e+03    1.04170e+05    2.83516e+05   -1.71993e+04   -2.15739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19475e+04   -1.73348e+06    3.49893e+05   -1.38359e+06    3.97350e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14015e+02   -2.12238e+02    9.71777e+01    3.60515e-06

           Step           Time
      235335000   470670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70794e+03    1.84220e+04    1.25542e+04    1.03729e+03   -2.94567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45860e+03    1.04456e+05    2.79849e+05   -1.71459e+04   -2.15422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22389e+04   -1.73359e+06    3.46908e+05   -1.38668e+06    3.97038e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11336e+02   -2.10924e+02   -1.12946e+02    3.42976e-06

           Step           Time
      235340000   470680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46280e+03    1.81963e+04    1.24491e+04    1.05299e+03   -2.79049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41889e+03    1.04203e+05    2.80490e+05   -1.72088e+04   -2.15522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21525e+04   -1.73480e+06    3.45549e+05   -1.38925e+06    3.98612e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10117e+02   -2.12472e+02    5.92364e+00    3.51724e-06

           Step           Time
      235345000   470690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50586e+03    1.85732e+04    1.23638e+04    1.18102e+03   -2.83194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45038e+03    1.04165e+05    2.80200e+05   -1.72349e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19458e+04   -1.73488e+06    3.47215e+05   -1.38767e+06    4.02150e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11612e+02   -2.13118e+02    9.79349e+00    3.60186e-06

           Step           Time
      235350000   470700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36821e+03    1.79840e+04    1.25084e+04    1.14382e+03   -2.82303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52238e+03    1.04118e+05    2.82004e+05   -1.71971e+04   -2.15666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19373e+04   -1.73509e+06    3.46372e+05   -1.38872e+06    4.06938e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10855e+02   -2.12184e+02    8.63561e+01    3.54012e-06

           Step           Time
      235355000   470710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55036e+03    1.86759e+04    1.22413e+04    9.80370e+02   -2.90368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.29946e+03    1.04066e+05    2.79572e+05   -1.71564e+04   -2.15396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19725e+04   -1.73466e+06    3.48408e+05   -1.38625e+06    4.06625e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12682e+02   -2.11183e+02   -1.33121e+02    3.77083e-06

           Step           Time
      235360000   470720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67865e+03    1.81696e+04    1.23599e+04    1.11173e+03   -2.83936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47008e+03    1.04540e+05    2.79657e+05   -1.71773e+04   -2.15254e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20167e+04   -1.73255e+06    3.47186e+05   -1.38537e+06    4.13938e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11586e+02   -2.11697e+02   -5.54425e+00    3.54255e-06

           Step           Time
      235365000   470730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48069e+03    1.83869e+04    1.23991e+04    1.09536e+03   -2.79807e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46524e+03    1.04314e+05    2.78114e+05   -1.71202e+04   -2.14960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22849e+04   -1.73098e+06    3.48259e+05   -1.38272e+06    4.14662e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12549e+02   -2.10292e+02   -5.62293e+01    3.65974e-06

           Step           Time
      235370000   470740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42656e+03    1.82018e+04    1.25123e+04    1.07676e+03   -2.83974e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59669e+03    1.03958e+05    2.81266e+05   -1.71848e+04   -2.15583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21149e+04   -1.73470e+06    3.47565e+05   -1.38714e+06    4.17475e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11926e+02   -2.11882e+02    6.65248e+01    3.75461e-06

           Step           Time
      235375000   470750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62885e+03    1.79912e+04    1.24731e+04    1.08746e+03   -2.83228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52759e+03    1.04146e+05    2.80124e+05   -1.71666e+04   -2.15213e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19670e+04   -1.73218e+06    3.47218e+05   -1.38496e+06    4.15850e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11614e+02   -2.11432e+02   -5.31783e+01    3.39848e-06

           Step           Time
      235380000   470760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50781e+03    1.81220e+04    1.24667e+04    1.13275e+03   -2.77964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49469e+03    1.03913e+05    2.82629e+05   -1.72434e+04   -2.15655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20718e+04   -1.73424e+06    3.46914e+05   -1.38732e+06    4.21938e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11342e+02   -2.13327e+02    1.82530e+02    3.51205e-06

           Step           Time
      235385000   470770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43072e+03    1.85543e+04    1.22676e+04    1.04056e+03   -2.92721e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46589e+03    1.04389e+05    2.79561e+05   -1.72144e+04   -2.15354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20275e+04   -1.73394e+06    3.46431e+05   -1.38751e+06    4.27788e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10908e+02   -2.12611e+02   -1.60332e+00    3.56132e-06

           Step           Time
      235390000   470780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52410e+03    1.84751e+04    1.23900e+04    1.06760e+03   -2.91003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42812e+03    1.04142e+05    2.80429e+05   -1.71825e+04   -2.15536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20381e+04   -1.73496e+06    3.45852e+05   -1.38911e+06    4.32412e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10389e+02   -2.11824e+02   -3.58945e+01    3.49711e-06

           Step           Time
      235395000   470790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40799e+03    1.80018e+04    1.22522e+04    9.97960e+02   -2.88503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49665e+03    1.04365e+05    2.79472e+05   -1.71689e+04   -2.15322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20489e+04   -1.73423e+06    3.45999e+05   -1.38823e+06    4.29625e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10521e+02   -2.11488e+02   -4.56852e+01    3.62543e-06

           Step           Time
      235400000   470800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34713e+03    1.82438e+04    1.24735e+04    1.09526e+03   -2.85175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50179e+03    1.04430e+05    2.79204e+05   -1.71719e+04   -2.15079e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21243e+04   -1.73140e+06    3.46839e+05   -1.38456e+06    4.36088e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11274e+02   -2.11563e+02   -1.63202e+01    3.52599e-06

           Step           Time
      235405000   470810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65659e+03    1.83437e+04    1.22729e+04    1.03324e+03   -2.90000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49341e+03    1.03867e+05    2.80154e+05   -1.71539e+04   -2.15225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20649e+04   -1.73242e+06    3.46804e+05   -1.38561e+06    4.36438e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11243e+02   -2.11119e+02    5.12463e+01    3.54532e-06

           Step           Time
      235410000   470820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68988e+03    1.82916e+04    1.22790e+04    1.05794e+03   -2.80682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49199e+03    1.04122e+05    2.79020e+05   -1.71884e+04   -2.15458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19014e+04   -1.73573e+06    3.47069e+05   -1.38866e+06    4.43162e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11481e+02   -2.11970e+02   -1.04528e+02    3.55636e-06

           Step           Time
      235415000   470830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34126e+03    1.82927e+04    1.22488e+04    1.15749e+03   -2.77064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51061e+03    1.03964e+05    2.81485e+05   -1.71977e+04   -2.15726e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19798e+04   -1.73625e+06    3.45846e+05   -1.39040e+06    4.45125e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10383e+02   -2.12199e+02    5.18283e+01    3.65922e-06

           Step           Time
      235420000   470840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58151e+03    1.84061e+04    1.24002e+04    1.03789e+03   -2.86012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40985e+03    1.03655e+05    2.82095e+05   -1.71844e+04   -2.15762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20733e+04   -1.73600e+06    3.45159e+05   -1.39085e+06    4.48350e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09767e+02   -2.11870e+02    2.69408e+01    3.45258e-06

           Step           Time
      235425000   470850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54453e+03    1.86037e+04    1.21648e+04    1.01619e+03   -2.91652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47010e+03    1.03867e+05    2.77636e+05   -1.71243e+04   -2.14980e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18757e+04   -1.73266e+06    3.44760e+05   -1.38790e+06    4.53288e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09409e+02   -2.10395e+02   -1.28113e+02    3.56407e-06

           Step           Time
      235430000   470860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62255e+03    1.80814e+04    1.23348e+04    1.07254e+03   -2.86649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53724e+03    1.04178e+05    2.79576e+05   -1.71759e+04   -2.15355e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20119e+04   -1.73417e+06    3.47182e+05   -1.38699e+06    4.50662e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11582e+02   -2.11662e+02   -6.92475e+00    3.55489e-06

           Step           Time
      235435000   470870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74982e+03    1.83090e+04    1.22936e+04    1.02555e+03   -2.93318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52850e+03    1.04298e+05    2.83047e+05   -1.72147e+04   -2.15906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19618e+04   -1.73600e+06    3.45888e+05   -1.39011e+06    4.59450e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10421e+02   -2.12619e+02    8.47924e+01    3.55327e-06

           Step           Time
      235440000   470880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65337e+03    1.81161e+04    1.22572e+04    1.12179e+03   -2.84929e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59652e+03    1.03758e+05    2.80886e+05   -1.72103e+04   -2.15827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22285e+04   -1.73771e+06    3.47311e+05   -1.39040e+06    4.59975e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11698e+02   -2.12510e+02   -3.36216e+00    3.44846e-06

           Step           Time
      235445000   470890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50406e+03    1.80343e+04    1.22723e+04    1.10028e+03   -2.81406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42223e+03    1.04180e+05    2.81470e+05   -1.72195e+04   -2.15715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18087e+04   -1.73639e+06    3.46593e+05   -1.38980e+06    4.62312e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11054e+02   -2.12736e+02    6.26268e+01    3.57869e-06

           Step           Time
      235450000   470900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68793e+03    1.82963e+04    1.24271e+04    1.03839e+03   -2.79815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46331e+03    1.04387e+05    2.81418e+05   -1.71889e+04   -2.15641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21570e+04   -1.73452e+06    3.48398e+05   -1.38612e+06    4.65012e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12674e+02   -2.11982e+02   -6.56899e+00    3.54647e-06

           Step           Time
      235455000   470910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68272e+03    1.83533e+04    1.24099e+04    1.04166e+03   -2.89207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50227e+03    1.04222e+05    2.82837e+05   -1.71751e+04   -2.15776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18021e+04   -1.73498e+06    3.47004e+05   -1.38797e+06    4.65500e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11423e+02   -2.11642e+02    3.64791e+01    3.54004e-06

           Step           Time
      235460000   470920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56723e+03    1.79345e+04    1.24659e+04    1.11009e+03   -2.93410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63559e+03    1.04663e+05    2.79863e+05   -1.72068e+04   -2.15253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19027e+04   -1.73253e+06    3.48309e+05   -1.38422e+06    4.64250e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12594e+02   -2.12424e+02    7.11128e+01    3.35185e-06

           Step           Time
      235465000   470930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46297e+03    1.82788e+04    1.24276e+04    1.01488e+03   -2.80876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51127e+03    1.04123e+05    2.78708e+05   -1.72048e+04   -2.15486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.16120e+04   -1.73673e+06    3.47203e+05   -1.38953e+06    4.68862e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11601e+02   -2.12373e+02   -7.85504e+01    3.58267e-06

           Step           Time
      235470000   470940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47898e+03    1.83065e+04    1.23884e+04    1.00810e+03   -2.76205e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48875e+03    1.03555e+05    2.79482e+05   -1.71704e+04   -2.15470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18615e+04   -1.73607e+06    3.47312e+05   -1.38876e+06    4.72600e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11699e+02   -2.11526e+02   -7.07506e+01    3.48128e-06

           Step           Time
      235475000   470950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71441e+03    1.83633e+04    1.23284e+04    1.07228e+03   -2.83190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53588e+03    1.03777e+05    2.80969e+05   -1.71746e+04   -2.15486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19856e+04   -1.73412e+06    3.46071e+05   -1.38805e+06    4.79650e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10585e+02   -2.11630e+02   -1.08786e+01    3.35219e-06

           Step           Time
      235480000   470960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45941e+03    1.79598e+04    1.24038e+04    1.10009e+03   -2.81840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41275e+03    1.04385e+05    2.79768e+05   -1.71970e+04   -2.15680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17936e+04   -1.73753e+06    3.45929e+05   -1.39160e+06    4.78388e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10458e+02   -2.12182e+02   -4.94280e+01    3.49280e-06

           Step           Time
      235485000   470970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74651e+03    1.79787e+04    1.24026e+04    1.06346e+03   -2.83638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49496e+03    1.04018e+05    2.78294e+05   -1.72158e+04   -2.15106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22904e+04   -1.73283e+06    3.46922e+05   -1.38590e+06    4.82988e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11349e+02   -2.12644e+02   -4.31646e+01    3.61787e-06

           Step           Time
      235490000   470980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.18088e+03    1.84139e+04    1.23177e+04    1.04662e+03   -2.83065e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51508e+03    1.04304e+05    2.80996e+05   -1.71443e+04   -2.15776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22096e+04   -1.73675e+06    3.46106e+05   -1.39065e+06    4.85625e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10617e+02   -2.10884e+02   -3.43979e+01    3.55188e-06

           Step           Time
      235495000   470990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99591e+03    1.83847e+04    1.22645e+04    1.09722e+03   -2.77912e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46431e+03    1.03455e+05    2.79957e+05   -1.71245e+04   -2.15547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20658e+04   -1.73569e+06    3.47756e+05   -1.38794e+06    4.91200e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12098e+02   -2.10399e+02   -1.51830e+02    3.48635e-06

           Step           Time
      235500000   471000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63204e+03    1.82112e+04    1.22537e+04    1.04245e+03   -2.84386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46373e+03    1.04188e+05    2.79034e+05   -1.72139e+04   -2.15305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20222e+04   -1.73426e+06    3.44750e+05   -1.38951e+06    4.92850e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09400e+02   -2.12599e+02   -6.25701e+01    3.45008e-06

           Step           Time
      235505000   471010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49512e+03    1.81685e+04    1.24417e+04    1.04252e+03   -2.79704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49790e+03    1.03892e+05    2.80645e+05   -1.71713e+04   -2.15507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19560e+04   -1.73490e+06    3.47663e+05   -1.38724e+06    4.92662e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12014e+02   -2.11549e+02    1.35071e+01    3.61022e-06

           Step           Time
      235510000   471020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33086e+03    1.81536e+04    1.23561e+04    1.06690e+03   -2.86561e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55780e+03    1.04313e+05    2.81650e+05   -1.72052e+04   -2.15656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19397e+04   -1.73526e+06    3.48223e+05   -1.38704e+06    4.97538e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12517e+02   -2.12383e+02    6.32715e+01    3.49653e-06

           Step           Time
      235515000   471030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55543e+03    1.82425e+04    1.23026e+04    1.10716e+03   -2.81724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51089e+03    1.03778e+05    2.81840e+05   -1.72256e+04   -2.15787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19734e+04   -1.73661e+06    3.47659e+05   -1.38895e+06    5.02488e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12010e+02   -2.12886e+02    4.92704e+01    3.69192e-06

           Step           Time
      235520000   471040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.16097e+03    1.81849e+04    1.21966e+04    1.15874e+03   -2.77390e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59592e+03    1.04482e+05    2.78712e+05   -1.71990e+04   -2.15414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21836e+04   -1.73544e+06    3.44323e+05   -1.39112e+06    5.06388e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09017e+02   -2.12230e+02   -1.52481e+01    3.30433e-06

           Step           Time
      235525000   471050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57129e+03    1.82860e+04    1.23374e+04    1.04398e+03   -2.89642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41012e+03    1.03650e+05    2.78399e+05   -1.72040e+04   -2.15433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20211e+04   -1.73671e+06    3.46080e+05   -1.39063e+06    5.06262e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10593e+02   -2.12353e+02   -1.15489e+02    3.55231e-06

           Step           Time
      235530000   471060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79240e+03    1.85613e+04    1.21580e+04    1.07420e+03   -2.82385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44813e+03    1.03660e+05    2.80139e+05   -1.71795e+04   -2.15333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20270e+04   -1.73348e+06    3.46080e+05   -1.38740e+06    5.13462e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10594e+02   -2.11750e+02   -5.02535e+01    3.72251e-06

           Step           Time
      235535000   471070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27731e+03    1.81188e+04    1.21886e+04    1.06233e+03   -2.90983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62854e+03    1.04390e+05    2.84914e+05   -1.72065e+04   -2.16170e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19929e+04   -1.73725e+06    3.47064e+05   -1.39018e+06    5.13825e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11477e+02   -2.12416e+02    2.19083e+02    3.54082e-06

           Step           Time
      235540000   471080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43676e+03    1.82603e+04    1.24833e+04    1.10458e+03   -2.87614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62650e+03    1.03655e+05    2.80519e+05   -1.71965e+04   -2.15541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19258e+04   -1.73547e+06    3.47407e+05   -1.38807e+06    5.18762e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11784e+02   -2.12170e+02   -3.84820e+01    3.49281e-06

           Step           Time
      235545000   471090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77470e+03    1.82966e+04    1.22951e+04    1.17430e+03   -2.90947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42591e+03    1.04037e+05    2.81883e+05   -1.72178e+04   -2.15930e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20073e+04   -1.73754e+06    3.46330e+05   -1.39121e+06    5.22238e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10818e+02   -2.12693e+02    2.46918e+01    3.50042e-06

           Step           Time
      235550000   471100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47327e+03    1.82902e+04    1.21214e+04    1.02854e+03   -2.85064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50098e+03    1.03881e+05    2.81164e+05   -1.71828e+04   -2.15658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19126e+04   -1.73624e+06    3.47268e+05   -1.38897e+06    5.23700e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11660e+02   -2.11831e+02   -8.08523e+01    3.61971e-06

           Step           Time
      235555000   471110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46143e+03    1.84261e+04    1.23809e+04    1.03593e+03   -2.76375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48745e+03    1.04020e+05    2.81565e+05   -1.72049e+04   -2.15642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18566e+04   -1.73516e+06    3.47259e+05   -1.38790e+06    5.29338e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11652e+02   -2.12376e+02   -7.36073e-01    3.56790e-06

           Step           Time
      235560000   471120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40277e+03    1.84000e+04    1.22857e+04    1.02902e+03   -2.93992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53519e+03    1.03718e+05    2.78252e+05   -1.71826e+04   -2.15284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20370e+04   -1.73531e+06    3.45516e+05   -1.38979e+06    5.28450e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10087e+02   -2.11827e+02   -5.69807e+01    3.55550e-06

           Step           Time
      235565000   471130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45011e+03    1.81275e+04    1.23035e+04    1.04894e+03   -2.85283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62655e+03    1.03986e+05    2.80512e+05   -1.71936e+04   -2.15340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19483e+04   -1.73344e+06    3.45956e+05   -1.38748e+06    5.33388e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10482e+02   -2.12099e+02    5.01298e+01    3.48661e-06

           Step           Time
      235570000   471140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57368e+03    1.85092e+04    1.25418e+04    1.06697e+03   -2.90010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55803e+03    1.03672e+05    2.80736e+05   -1.71980e+04   -2.15542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19873e+04   -1.73487e+06    3.48036e+05   -1.38683e+06    5.36250e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12348e+02   -2.12206e+02    3.13137e+01    3.63037e-06

           Step           Time
      235575000   471150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52389e+03    1.82806e+04    1.22277e+04    1.10385e+03   -2.82744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53167e+03    1.03878e+05    2.79011e+05   -1.72035e+04   -2.15130e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20302e+04   -1.73274e+06    3.45485e+05   -1.38726e+06    5.39538e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10059e+02   -2.12343e+02   -7.36482e+01    3.46271e-06

           Step           Time
      235580000   471160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38128e+03    1.79129e+04    1.22820e+04    1.08469e+03   -2.84015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52702e+03    1.03976e+05    2.83544e+05   -1.72257e+04   -2.16066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19512e+04   -1.73807e+06    3.47201e+05   -1.39087e+06    5.40575e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11599e+02   -2.12890e+02    1.35805e+02    3.65267e-06

           Step           Time
      235585000   471170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44657e+03    1.84826e+04    1.23405e+04    1.08234e+03   -2.80067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54477e+03    1.04148e+05    2.81134e+05   -1.72098e+04   -2.15691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20110e+04   -1.73573e+06    3.47129e+05   -1.38860e+06    5.47750e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11535e+02   -2.12496e+02    5.78846e+01    3.60270e-06

           Step           Time
      235590000   471180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59903e+03    1.82114e+04    1.23768e+04    1.06587e+03   -2.93171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47942e+03    1.04271e+05    2.79410e+05   -1.71532e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20463e+04   -1.73636e+06    3.46486e+05   -1.38988e+06    5.46550e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10958e+02   -2.11104e+02   -7.40651e+01    3.37989e-06

           Step           Time
      235595000   471190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49994e+03    1.79836e+04    1.24081e+04    1.03453e+03   -2.93050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55500e+03    1.04288e+05    2.79903e+05   -1.71322e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19622e+04   -1.73616e+06    3.44778e+05   -1.39139e+06    5.48862e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09425e+02   -2.10588e+02   -9.43529e+01    3.43681e-06

           Step           Time
      235600000   471200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34053e+03    1.81724e+04    1.23356e+04    1.00773e+03   -2.94032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48715e+03    1.04301e+05    2.84061e+05   -1.72059e+04   -2.16061e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19012e+04   -1.73715e+06    3.47250e+05   -1.38990e+06    5.49538e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11644e+02   -2.12400e+02    8.15032e+01    3.37601e-06

           Step           Time
      235605000   471210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61827e+03    1.83288e+04    1.24429e+04    1.07561e+03   -2.92540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48231e+03    1.04220e+05    2.81224e+05   -1.72069e+04   -2.15733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19781e+04   -1.73610e+06    3.45328e+05   -1.39077e+06    5.56925e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09919e+02   -2.12426e+02   -3.43801e+01    3.43575e-06

           Step           Time
      235610000   471220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98362e+03    1.81249e+04    1.22521e+04    1.09480e+03   -2.88423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35113e+03    1.03808e+05    2.79803e+05   -1.72420e+04   -2.15394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19816e+04   -1.73467e+06    3.45868e+05   -1.38880e+06    5.56088e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10404e+02   -2.13293e+02    6.74274e+00    3.49955e-06

           Step           Time
      235615000   471230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42542e+03    1.80924e+04    1.23849e+04    1.07376e+03   -2.82479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55515e+03    1.04240e+05    2.79597e+05   -1.72226e+04   -2.15519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19196e+04   -1.73595e+06    3.46562e+05   -1.38939e+06    5.59775e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11026e+02   -2.12812e+02   -2.43328e+00    3.55170e-06

           Step           Time
      235620000   471240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59198e+03    1.77775e+04    1.22417e+04    1.11301e+03   -2.87110e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51968e+03    1.04357e+05    2.82987e+05   -1.72062e+04   -2.15925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19877e+04   -1.73675e+06    3.45783e+05   -1.39096e+06    5.63262e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10326e+02   -2.12409e+02    1.77870e+01    3.41894e-06

           Step           Time
      235625000   471250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75028e+03    1.78133e+04    1.23208e+04    1.00893e+03   -2.95271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36299e+03    1.04510e+05    2.79516e+05   -1.72090e+04   -2.15253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19812e+04   -1.73343e+06    3.45460e+05   -1.38797e+06    5.69500e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10037e+02   -2.12477e+02   -8.35817e+01    3.47259e-06

           Step           Time
      235630000   471260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40472e+03    1.82687e+04    1.24008e+04    1.12785e+03   -3.00333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49475e+03    1.04473e+05    2.80317e+05   -1.71829e+04   -2.15527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20520e+04   -1.73491e+06    3.47014e+05   -1.38790e+06    5.69862e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11432e+02   -2.11835e+02    1.43011e+01    3.56353e-06

           Step           Time
      235635000   471270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35256e+03    1.82298e+04    1.24448e+04    1.11816e+03   -2.94707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53616e+03    1.04190e+05    2.82829e+05   -1.72238e+04   -2.15870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21388e+04   -1.73603e+06    3.46828e+05   -1.38920e+06    5.71438e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11264e+02   -2.12842e+02    1.87610e+02    3.59401e-06

           Step           Time
      235640000   471280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30072e+03    1.82232e+04    1.22615e+04    1.14421e+03   -2.77102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53373e+03    1.04350e+05    2.81055e+05   -1.72115e+04   -2.15562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19093e+04   -1.73482e+06    3.43863e+05   -1.39096e+06    5.74800e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08603e+02   -2.12539e+02    2.64328e+01    3.48482e-06

           Step           Time
      235645000   471290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65628e+03    1.84350e+04    1.23167e+04    1.10831e+03   -2.89825e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51440e+03    1.04172e+05    2.81876e+05   -1.71694e+04   -2.15558e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20322e+04   -1.73354e+06    3.46278e+05   -1.38726e+06    5.79025e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10771e+02   -2.11502e+02    4.99274e+01    3.52260e-06

           Step           Time
      235650000   471300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60400e+03    1.82298e+04    1.22938e+04    1.11727e+03   -2.85876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46568e+03    1.03542e+05    2.79622e+05   -1.71744e+04   -2.15345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19710e+04   -1.73463e+06    3.48004e+05   -1.38663e+06    5.75775e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12320e+02   -2.11624e+02   -4.59931e+01    3.37314e-06

           Step           Time
      235655000   471310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47928e+03    1.80463e+04    1.22938e+04    1.13821e+03   -2.85359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40424e+03    1.04520e+05    2.79586e+05   -1.72065e+04   -2.15335e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21180e+04   -1.73383e+06    3.46251e+05   -1.38757e+06    5.77338e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10747e+02   -2.12415e+02   -6.01752e+01    3.59111e-06

           Step           Time
      235660000   471320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39991e+03    1.82514e+04    1.23286e+04    1.08789e+03   -2.84887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51603e+03    1.04847e+05    2.81022e+05   -1.71976e+04   -2.15629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18933e+04   -1.73499e+06    3.46965e+05   -1.38802e+06    5.80888e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11387e+02   -2.12196e+02    5.76685e+01    3.54669e-06

           Step           Time
      235665000   471330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54263e+03    1.81370e+04    1.26882e+04    1.08355e+03   -2.92530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51391e+03    1.04374e+05    2.79014e+05   -1.72022e+04   -2.15255e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18579e+04   -1.73347e+06    3.47633e+05   -1.38583e+06    5.83462e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11987e+02   -2.12310e+02   -4.68379e+01    3.54156e-06

           Step           Time
      235670000   471340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66146e+03    1.78653e+04    1.24004e+04    1.12285e+03   -2.98986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51412e+03    1.04219e+05    2.79999e+05   -1.72030e+04   -2.15575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20101e+04   -1.73616e+06    3.45845e+05   -1.39031e+06    5.92812e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10383e+02   -2.12330e+02   -7.42288e+01    3.42895e-06

           Step           Time
      235675000   471350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69428e+03    1.83606e+04    1.25230e+04    1.09685e+03   -2.91660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44460e+03    1.03702e+05    2.81957e+05   -1.71913e+04   -2.15535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19884e+04   -1.73369e+06    3.47505e+05   -1.38618e+06    5.95112e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11872e+02   -2.12040e+02    7.27015e+01    3.59454e-06

           Step           Time
      235680000   471360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66159e+03    1.83454e+04    1.21409e+04    9.35628e+02   -2.86325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60641e+03    1.03707e+05    2.80930e+05   -1.71858e+04   -2.15651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20125e+04   -1.73622e+06    3.46772e+05   -1.38945e+06    5.99762e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11215e+02   -2.11906e+02    2.48479e+01    3.38671e-06

           Step           Time
      235685000   471370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57005e+03    1.84128e+04    1.23247e+04    1.01807e+03   -2.95036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37607e+03    1.04226e+05    2.82917e+05   -1.71796e+04   -2.15746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20326e+04   -1.73471e+06    3.47176e+05   -1.38753e+06    5.98225e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11577e+02   -2.11753e+02    2.78129e+01    3.50231e-06

           Step           Time
      235690000   471380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72925e+03    1.78587e+04    1.25495e+04    1.02390e+03   -2.91679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51013e+03    1.04060e+05    2.79668e+05   -1.71677e+04   -2.15176e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19469e+04   -1.73250e+06    3.47882e+05   -1.38462e+06    6.01362e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12211e+02   -2.11459e+02   -3.22242e+01    3.61962e-06

           Step           Time
      235695000   471390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41371e+03    1.85479e+04    1.24776e+04    9.94900e+02   -2.86610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56301e+03    1.03562e+05    2.81738e+05   -1.71779e+04   -2.15670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18320e+04   -1.73561e+06    3.47643e+05   -1.38797e+06    6.05750e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11996e+02   -2.11710e+02    2.74167e+01    3.48733e-06

           Step           Time
      235700000   471400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70220e+03    1.78425e+04    1.23549e+04    9.78826e+02   -2.89046e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36011e+03    1.03735e+05    2.80650e+05   -1.71777e+04   -2.15686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20700e+04   -1.73724e+06    3.44339e+05   -1.39290e+06    6.08938e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09031e+02   -2.11706e+02   -1.17459e+02    3.43845e-06

           Step           Time
      235705000   471410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41058e+03    1.82046e+04    1.23140e+04    1.06531e+03   -2.75688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56900e+03    1.03990e+05    2.81259e+05   -1.72112e+04   -2.15598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20069e+04   -1.73512e+06    3.47419e+05   -1.38770e+06    6.10300e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11795e+02   -2.12532e+02    7.27235e+01    3.48674e-06

           Step           Time
      235710000   471420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53317e+03    1.81814e+04    1.25241e+04    1.08869e+03   -2.83420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63175e+03    1.03470e+05    2.79458e+05   -1.72218e+04   -2.15469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20157e+04   -1.73584e+06    3.47048e+05   -1.38879e+06    6.11612e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11462e+02   -2.12792e+02   -2.00462e+01    3.37307e-06

           Step           Time
      235715000   471430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55964e+03    1.81232e+04    1.22330e+04    9.97135e+02   -2.78220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51331e+03    1.03750e+05    2.82391e+05   -1.71962e+04   -2.15634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20165e+04   -1.73473e+06    3.47180e+05   -1.38755e+06    6.17275e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11580e+02   -2.12161e+02    4.27646e+01    3.44870e-06

           Step           Time
      235720000   471440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40474e+03    1.81843e+04    1.23106e+04    1.00564e+03   -2.82071e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70356e+03    1.04143e+05    2.81986e+05   -1.71653e+04   -2.15595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18808e+04   -1.73432e+06    3.46385e+05   -1.38794e+06    6.23825e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10867e+02   -2.11400e+02    8.60864e+01    3.55329e-06

           Step           Time
      235725000   471450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43856e+03    1.83322e+04    1.23359e+04    1.12142e+03   -2.89224e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57275e+03    1.03651e+05    2.81244e+05   -1.71936e+04   -2.15388e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18792e+04   -1.73340e+06    3.46506e+05   -1.38689e+06    6.25762e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10976e+02   -2.12097e+02    6.94223e+01    3.62774e-06

           Step           Time
      235730000   471460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52685e+03    1.80545e+04    1.23534e+04    1.20650e+03   -2.83669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52520e+03    1.03758e+05    2.78888e+05   -1.71793e+04   -2.15152e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20058e+04   -1.73322e+06    3.47070e+05   -1.38615e+06    6.27688e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11482e+02   -2.11746e+02   -4.83216e+01    3.37536e-06

           Step           Time
      235735000   471470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49203e+03    1.81649e+04    1.22379e+04    1.01704e+03   -2.95465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52997e+03    1.03494e+05    2.81164e+05   -1.71916e+04   -2.15681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18610e+04   -1.73700e+06    3.45527e+05   -1.39147e+06    6.31250e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10097e+02   -2.12047e+02   -4.78461e+01    3.43486e-06

           Step           Time
      235740000   471480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83572e+03    1.84391e+04    1.24122e+04    1.02261e+03   -2.81925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50684e+03    1.03780e+05    2.80810e+05   -1.72329e+04   -2.15541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19470e+04   -1.73471e+06    3.46182e+05   -1.38853e+06    6.37925e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10685e+02   -2.13066e+02    1.65872e+01    3.54326e-06

           Step           Time
      235745000   471490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21096e+03    1.83892e+04    1.24053e+04    1.06221e+03   -2.88661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45129e+03    1.03849e+05    2.79502e+05   -1.72211e+04   -2.15379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19382e+04   -1.73509e+06    3.46133e+05   -1.38896e+06    6.32062e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10641e+02   -2.12776e+02    6.76863e+00    3.53967e-06

           Step           Time
      235750000   471500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36593e+03    1.84342e+04    1.24044e+04    1.14429e+03   -2.86241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61990e+03    1.03776e+05    2.80048e+05   -1.71882e+04   -2.15329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20828e+04   -1.73347e+06    3.46872e+05   -1.38660e+06    6.39462e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11304e+02   -2.11964e+02    3.40883e+01    3.51048e-06

           Step           Time
      235755000   471510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65067e+03    1.88317e+04    1.23806e+04    1.12249e+03   -2.96638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52135e+03    1.03511e+05    2.80582e+05   -1.71737e+04   -2.15356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20482e+04   -1.73305e+06    3.47389e+05   -1.38566e+06    6.46100e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11768e+02   -2.11607e+02    1.09468e+01    3.39232e-06

           Step           Time
      235760000   471520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70544e+03    1.85029e+04    1.24418e+04    1.14257e+03   -2.85838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40363e+03    1.03385e+05    2.80449e+05   -1.72170e+04   -2.15595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18025e+04   -1.73619e+06    3.48505e+05   -1.38769e+06    6.45912e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12770e+02   -2.12676e+02   -3.15496e+01    3.40449e-06

           Step           Time
      235765000   471530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59154e+03    1.83195e+04    1.22534e+04    1.04667e+03   -2.87414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34539e+03    1.03504e+05    2.83368e+05   -1.72496e+04   -2.15855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20800e+04   -1.73617e+06    3.46123e+05   -1.39005e+06    6.51712e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10632e+02   -2.13479e+02    6.26218e+01    3.55574e-06

           Step           Time
      235770000   471540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40667e+03    1.84770e+04    1.24029e+04    1.03402e+03   -2.87509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50395e+03    1.03751e+05    2.80032e+05   -1.71871e+04   -2.15317e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21346e+04   -1.73349e+06    3.45950e+05   -1.38754e+06    6.54225e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10477e+02   -2.11937e+02    5.84536e+00    3.49640e-06

           Step           Time
      235775000   471550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48907e+03    1.81223e+04    1.22568e+04    1.06523e+03   -2.72655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44562e+03    1.03140e+05    2.80325e+05   -1.71889e+04   -2.15453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19647e+04   -1.73563e+06    3.46409e+05   -1.38923e+06    6.53562e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10889e+02   -2.11982e+02   -4.54145e+01    3.45365e-06

Writing checkpoint, step 235776100 at Fri Dec  1 23:53:07 2023


           Step           Time
      235780000   471560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62457e+03    1.82545e+04    1.22892e+04    1.07578e+03   -2.90030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40736e+03    1.03158e+05    2.82195e+05   -1.72098e+04   -2.15661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20551e+04   -1.73566e+06    3.46186e+05   -1.38947e+06    6.57850e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10688e+02   -2.12496e+02    1.62794e+00    3.55785e-06

           Step           Time
      235785000   471570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58337e+03    1.82589e+04    1.23903e+04    1.08196e+03   -2.85751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40128e+03    1.03386e+05    2.78283e+05   -1.72128e+04   -2.15339e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19713e+04   -1.73610e+06    3.45460e+05   -1.39064e+06    6.57675e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10037e+02   -2.12571e+02   -1.16307e+02    3.54425e-06

           Step           Time
      235790000   471580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64535e+03    1.79306e+04    1.25164e+04    1.14890e+03   -2.92093e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43630e+03    1.03264e+05    2.78900e+05   -1.71829e+04   -2.15286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20446e+04   -1.73508e+06    3.45619e+05   -1.38946e+06    6.62438e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10179e+02   -2.11834e+02   -6.02982e+01    3.73200e-06

           Step           Time
      235795000   471590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52822e+03    1.86325e+04    1.23535e+04    1.09258e+03   -2.80572e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47588e+03    1.03414e+05    2.80174e+05   -1.71839e+04   -2.15609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20559e+04   -1.73635e+06    3.46161e+05   -1.39019e+06    6.67762e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10666e+02   -2.11858e+02   -7.62937e+01    3.50205e-06

           Step           Time
      235800000   471600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57178e+03    1.85376e+04    1.22939e+04    9.77091e+02   -2.86125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56356e+03    1.03301e+05    2.84656e+05   -1.72013e+04   -2.15895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18327e+04   -1.73528e+06    3.46518e+05   -1.38877e+06    6.70112e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10987e+02   -2.12287e+02    1.53231e+02    3.55087e-06

           Step           Time
      235805000   471610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53532e+03    1.85720e+04    1.25705e+04    1.07746e+03   -2.92295e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52286e+03    1.03446e+05    2.81253e+05   -1.71969e+04   -2.15548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21956e+04   -1.73443e+06    3.47522e+05   -1.38691e+06    6.74300e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11888e+02   -2.12179e+02    3.27449e+01    3.26803e-06

           Step           Time
      235810000   471620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68522e+03    1.80560e+04    1.25033e+04    1.06442e+03   -2.83010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51654e+03    1.03665e+05    2.79949e+05   -1.71875e+04   -2.15177e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20441e+04   -1.73230e+06    3.45565e+05   -1.38673e+06    6.72150e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10131e+02   -2.11947e+02    2.46564e+01    3.53678e-06

           Step           Time
      235815000   471630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34684e+03    1.85624e+04    1.22849e+04    1.05121e+03   -2.94335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53867e+03    1.03941e+05    2.79424e+05   -1.71867e+04   -2.15407e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20945e+04   -1.73496e+06    3.47188e+05   -1.38777e+06    6.72625e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11588e+02   -2.11928e+02   -2.41726e+01    3.59756e-06

           Step           Time
      235820000   471640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40950e+03    1.80640e+04    1.22957e+04    1.07211e+03   -2.91116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54884e+03    1.03937e+05    2.80279e+05   -1.71937e+04   -2.15440e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20470e+04   -1.73485e+06    3.45240e+05   -1.38961e+06    6.76450e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09840e+02   -2.12101e+02    4.09362e+01    3.48109e-06

           Step           Time
      235825000   471650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52938e+03    1.84007e+04    1.21902e+04    1.11506e+03   -2.92092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44193e+03    1.03728e+05    2.81779e+05   -1.71806e+04   -2.15651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19267e+04   -1.73550e+06    3.44355e+05   -1.39115e+06    6.79662e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09045e+02   -2.11777e+02   -1.23234e+01    3.39256e-06

           Step           Time
      235830000   471660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33936e+03    1.82483e+04    1.23178e+04    1.09196e+03   -2.81319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55205e+03    1.03697e+05    2.78454e+05   -1.71932e+04   -2.15214e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20629e+04   -1.73439e+06    3.45772e+05   -1.38862e+06    6.79450e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10317e+02   -2.12088e+02   -3.56356e+01    3.39235e-06

           Step           Time
      235835000   471670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48916e+03    1.79978e+04    1.23930e+04    1.07030e+03   -2.70777e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44757e+03    1.03257e+05    2.79881e+05   -1.71815e+04   -2.15397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20288e+04   -1.73530e+06    3.46729e+05   -1.38857e+06    6.80875e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11176e+02   -2.11799e+02   -1.17759e+01    3.74274e-06

           Step           Time
      235840000   471680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42256e+03    1.87799e+04    1.23415e+04    1.09636e+03   -2.91229e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59381e+03    1.03542e+05    2.81130e+05   -1.72363e+04   -2.15340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21385e+04   -1.73250e+06    3.49076e+05   -1.38342e+06    6.86338e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13282e+02   -2.13152e+02    1.21817e+02    3.44188e-06

           Step           Time
      235845000   471690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55277e+03    1.80886e+04    1.24984e+04    1.02439e+03   -2.86685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43770e+03    1.03322e+05    2.81388e+05   -1.71321e+04   -2.15350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23019e+04   -1.73289e+06    3.47980e+05   -1.38490e+06    6.85238e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12299e+02   -2.10584e+02   -9.07714e-01    3.72536e-06

           Step           Time
      235850000   471700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26669e+03    1.80662e+04    1.22802e+04    1.13963e+03   -2.77477e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60844e+03    1.03611e+05    2.79011e+05   -1.72039e+04   -2.15352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21561e+04   -1.73536e+06    3.47162e+05   -1.38820e+06    6.89275e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11564e+02   -2.12350e+02   -6.91455e+00    3.75544e-06

           Step           Time
      235855000   471710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32516e+03    1.84096e+04    1.21746e+04    1.02616e+03   -2.84299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52482e+03    1.03136e+05    2.80552e+05   -1.72020e+04   -2.15438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20753e+04   -1.73520e+06    3.45578e+05   -1.38962e+06    6.93850e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10143e+02   -2.12305e+02    3.06912e+01    3.55406e-06

           Step           Time
      235860000   471720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70254e+03    1.84560e+04    1.23993e+04    1.04000e+03   -2.88705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44315e+03    1.03216e+05    2.79942e+05   -1.72063e+04   -2.15151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20649e+04   -1.73234e+06    3.46404e+05   -1.38593e+06    6.94738e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10884e+02   -2.12412e+02   -8.43258e+00    3.47336e-06

           Step           Time
      235865000   471730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64341e+03    1.78016e+04    1.22654e+04    1.09407e+03   -3.00719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46332e+03    1.04047e+05    2.82081e+05   -1.72353e+04   -2.15958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18617e+04   -1.73856e+06    3.47741e+05   -1.39082e+06    6.98362e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12084e+02   -2.13127e+02   -1.18071e+00    3.44473e-06

           Step           Time
      235870000   471740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43123e+03    1.78653e+04    1.22488e+04    1.04333e+03   -2.87380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54252e+03    1.03574e+05    2.79589e+05   -1.71974e+04   -2.15513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18517e+04   -1.73706e+06    3.47287e+05   -1.38977e+06    6.98300e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11677e+02   -2.12191e+02   -6.06211e+01    3.55583e-06

           Step           Time
      235875000   471750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72112e+03    1.80074e+04    1.22409e+04    1.09059e+03   -2.81240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51646e+03    1.03789e+05    2.82151e+05   -1.71799e+04   -2.15813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19733e+04   -1.73664e+06    3.46494e+05   -1.39014e+06    7.11138e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10965e+02   -2.11760e+02    1.96346e+01    3.64259e-06

           Step           Time
      235880000   471760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59676e+03    1.83247e+04    1.21976e+04    1.03667e+03   -2.81320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51423e+03    1.03433e+05    2.80939e+05   -1.72011e+04   -2.15807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19265e+04   -1.73812e+06    3.46035e+05   -1.39208e+06    7.10612e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10553e+02   -2.12282e+02    9.40353e+00    3.54511e-06

           Step           Time
      235885000   471770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54833e+03    1.83266e+04    1.23106e+04    1.13852e+03   -3.05295e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57070e+03    1.03257e+05    2.81222e+05   -1.72181e+04   -2.15609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20192e+04   -1.73597e+06    3.45903e+05   -1.39006e+06    7.14675e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10434e+02   -2.12702e+02   -2.32855e+01    3.56767e-06

           Step           Time
      235890000   471780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40133e+03    1.83146e+04    1.25074e+04    1.01402e+03   -2.90394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60158e+03    1.03643e+05    2.78690e+05   -1.72450e+04   -2.15418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19565e+04   -1.73620e+06    3.47559e+05   -1.38864e+06    7.14962e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11921e+02   -2.13366e+02   -2.89732e+01    3.48058e-06

           Step           Time
      235895000   471790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68865e+03    1.79666e+04    1.21322e+04    1.04033e+03   -2.91983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44206e+03    1.03309e+05    2.78882e+05   -1.71688e+04   -2.15245e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20504e+04   -1.73502e+06    3.45503e+05   -1.38952e+06    7.15750e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10075e+02   -2.11488e+02   -8.95695e+01    3.63493e-06

           Step           Time
      235900000   471800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53421e+03    1.83326e+04    1.24229e+04    9.91327e+02   -2.96362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50350e+03    1.03139e+05    2.83321e+05   -1.72311e+04   -2.16065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20288e+04   -1.73858e+06    3.46217e+05   -1.39236e+06    7.24662e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10717e+02   -2.13023e+02    8.43090e+01    3.36761e-06

           Step           Time
      235905000   471810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67280e+03    1.82755e+04    1.23383e+04    9.92459e+02   -2.86590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51687e+03    1.03482e+05    2.77972e+05   -1.71950e+04   -2.15029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20821e+04   -1.73302e+06    3.47011e+05   -1.38601e+06    7.26300e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11428e+02   -2.12133e+02   -5.61854e+01    3.42107e-06

           Step           Time
      235910000   471820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48342e+03    1.79615e+04    1.22716e+04    1.12491e+03   -2.96301e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64762e+03    1.03760e+05    2.78863e+05   -1.72364e+04   -2.15091e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19116e+04   -1.73309e+06    3.47499e+05   -1.38559e+06    7.30200e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11866e+02   -2.13154e+02    4.25529e+01    3.81794e-06

           Step           Time
      235915000   471830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28771e+03    1.86137e+04    1.22734e+04    1.04740e+03   -2.82722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58786e+03    1.03749e+05    2.77757e+05   -1.71612e+04   -2.14965e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20695e+04   -1.73225e+06    3.46548e+05   -1.38570e+06    7.33250e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11013e+02   -2.11300e+02   -1.66567e+01    3.49831e-06

           Step           Time
      235920000   471840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68381e+03    1.79887e+04    1.25609e+04    1.09653e+03   -2.94055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41607e+03    1.03196e+05    2.80504e+05   -1.71993e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19589e+04   -1.73648e+06    3.44628e+05   -1.39185e+06    7.35138e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09290e+02   -2.12238e+02   -2.74612e+01    3.53923e-06

           Step           Time
      235925000   471850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51218e+03    1.86595e+04    1.22589e+04    1.02162e+03   -2.86049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59093e+03    1.03658e+05    2.80666e+05   -1.71953e+04   -2.15304e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21226e+04   -1.73261e+06    3.46276e+05   -1.38633e+06    7.41562e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10769e+02   -2.12140e+02    5.48637e+01    3.39548e-06

           Step           Time
      235930000   471860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60752e+03    1.87437e+04    1.23553e+04    1.03656e+03   -2.86503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44188e+03    1.03932e+05    2.80922e+05   -1.71484e+04   -2.15339e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20208e+04   -1.73235e+06    3.45800e+05   -1.38655e+06    7.42938e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10342e+02   -2.10985e+02   -6.34524e+01    3.55716e-06

           Step           Time
      235935000   471870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44325e+03    1.82673e+04    1.22778e+04    1.07158e+03   -2.86670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34102e+03    1.04029e+05    2.81485e+05   -1.71776e+04   -2.15371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21028e+04   -1.73273e+06    3.46098e+05   -1.38664e+06    7.39550e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10609e+02   -2.11703e+02   -1.30929e+01    3.50033e-06

           Step           Time
      235940000   471880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59265e+03    1.84928e+04    1.23324e+04    1.09441e+03   -2.90116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37363e+03    1.03894e+05    2.82550e+05   -1.72375e+04   -2.15816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19223e+04   -1.73605e+06    3.45979e+05   -1.39007e+06    7.49312e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10503e+02   -2.13181e+02    7.20617e+01    3.39905e-06

           Step           Time
      235945000   471890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32051e+03    1.84292e+04    1.24113e+04    9.78101e+02   -2.86197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55975e+03    1.03878e+05    2.79950e+05   -1.71833e+04   -2.15351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19842e+04   -1.73405e+06    3.46729e+05   -1.38732e+06    7.50562e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11176e+02   -2.11845e+02   -3.98967e+01    3.39219e-06

           Step           Time
      235950000   471900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66096e+03    1.83185e+04    1.24971e+04    1.17312e+03   -2.85395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55812e+03    1.03727e+05    2.79675e+05   -1.71833e+04   -2.15449e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18752e+04   -1.73504e+06    3.45585e+05   -1.38945e+06    7.54125e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10149e+02   -2.11843e+02   -4.79810e+01    3.53570e-06

           Step           Time
      235955000   471910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55162e+03    1.80703e+04    1.23344e+04    1.07383e+03   -2.78224e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56749e+03    1.03464e+05    2.81249e+05   -1.71690e+04   -2.15688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19925e+04   -1.73653e+06    3.45376e+05   -1.39115e+06    7.56850e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09962e+02   -2.11492e+02    1.87965e+01    3.34521e-06

           Step           Time
      235960000   471920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62878e+03    1.82551e+04    1.22185e+04    1.07081e+03   -2.86548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50872e+03    1.03448e+05    2.80670e+05   -1.72118e+04   -2.15566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18857e+04   -1.73605e+06    3.47618e+05   -1.38843e+06    7.57962e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11973e+02   -2.12547e+02   -2.20987e+01    3.58250e-06

           Step           Time
      235965000   471930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.22777e+03    1.81514e+04    1.23014e+04    1.06658e+03   -2.83013e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56211e+03    1.04199e+05    2.79396e+05   -1.72204e+04   -2.15464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17110e+04   -1.73607e+06    3.47076e+05   -1.38900e+06    7.61362e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11488e+02   -2.12759e+02    5.29373e+01    3.66587e-06

           Step           Time
      235970000   471940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62568e+03    1.81100e+04    1.23383e+04    1.11744e+03   -2.85335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46226e+03    1.03758e+05    2.79298e+05   -1.71914e+04   -2.15401e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18280e+04   -1.73552e+06    3.46968e+05   -1.38855e+06    7.62638e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11390e+02   -2.12044e+02   -8.80655e+01    3.60785e-06

           Step           Time
      235975000   471950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60701e+03    1.82677e+04    1.24184e+04    1.09026e+03   -2.86441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48390e+03    1.03897e+05    2.81115e+05   -1.71802e+04   -2.15463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20631e+04   -1.73374e+06    3.45510e+05   -1.38823e+06    7.66775e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10082e+02   -2.11768e+02    2.84736e+01    3.41434e-06

           Step           Time
      235980000   471960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68072e+03    1.81826e+04    1.24530e+04    1.11430e+03   -2.80998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43426e+03    1.03591e+05    2.82048e+05   -1.71920e+04   -2.15788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19534e+04   -1.73642e+06    3.47146e+05   -1.38928e+06    7.71988e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11550e+02   -2.12059e+02   -1.16175e+01    3.52842e-06

           Step           Time
      235985000   471970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44995e+03    1.80125e+04    1.23570e+04    1.04143e+03   -2.84764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39867e+03    1.04355e+05    2.78855e+05   -1.71789e+04   -2.15282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22874e+04   -1.73409e+06    3.46326e+05   -1.38777e+06    7.72100e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10814e+02   -2.11735e+02   -7.88910e+01    3.46826e-06

           Step           Time
      235990000   471980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36760e+03    1.80408e+04    1.24104e+04    1.07657e+03   -2.96500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52976e+03    1.04103e+05    2.80058e+05   -1.71583e+04   -2.15415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20496e+04   -1.73464e+06    3.46099e+05   -1.38854e+06    7.74562e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10610e+02   -2.11228e+02   -2.83646e+01    3.39537e-06

           Step           Time
      235995000   471990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55870e+03    1.78498e+04    1.23757e+04    1.01306e+03   -2.89965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34299e+03    1.03929e+05    2.83072e+05   -1.71901e+04   -2.15685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18768e+04   -1.73492e+06    3.45727e+05   -1.38920e+06    7.77975e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10276e+02   -2.12011e+02    5.33758e+01    3.46712e-06

           Step           Time
      236000000   472000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53809e+03    1.81965e+04    1.24934e+04    1.05708e+03   -2.98358e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36339e+03    1.03494e+05    2.81123e+05   -1.71870e+04   -2.15614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19997e+04   -1.73604e+06    3.47812e+05   -1.38823e+06    7.83088e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12148e+02   -2.11934e+02   -7.73089e+01    3.47455e-06

           Step           Time
      236005000   472010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67143e+03    1.86288e+04    1.24396e+04    1.15517e+03   -2.78682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41526e+03    1.03464e+05    2.80138e+05   -1.71782e+04   -2.15369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19449e+04   -1.73380e+06    3.46829e+05   -1.38697e+06    7.87650e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11265e+02   -2.11717e+02   -5.79460e+01    3.43785e-06

           Step           Time
      236010000   472020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49248e+03    1.80865e+04    1.23639e+04    1.04834e+03   -2.79483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40976e+03    1.04032e+05    2.79418e+05   -1.71745e+04   -2.15079e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19427e+04   -1.73197e+06    3.45709e+05   -1.38626e+06    7.89325e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10260e+02   -2.11627e+02   -9.18199e+01    3.55153e-06

           Step           Time
      236015000   472030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77584e+03    1.85313e+04    1.24307e+04    1.06165e+03   -2.87055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43488e+03    1.03435e+05    2.81665e+05   -1.71984e+04   -2.15737e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19732e+04   -1.73613e+06    3.47186e+05   -1.38895e+06    7.97138e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11586e+02   -2.12215e+02    2.79276e+01    3.50925e-06

           Step           Time
      236020000   472040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48417e+03    1.83638e+04    1.23399e+04    1.05014e+03   -2.79847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43435e+03    1.03972e+05    2.80970e+05   -1.71885e+04   -2.15523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20907e+04   -1.73451e+06    3.42889e+05   -1.39162e+06    8.02800e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07730e+02   -2.11973e+02    1.45593e+00    3.39586e-06

           Step           Time
      236025000   472050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40989e+03    1.85999e+04    1.24527e+04    1.16271e+03   -2.88167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46638e+03    1.03339e+05    2.79454e+05   -1.71745e+04   -2.15286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19874e+04   -1.73404e+06    3.46986e+05   -1.38706e+06    8.02012e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11406e+02   -2.11628e+02   -5.23623e+01    3.43592e-06

           Step           Time
      236030000   472060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41661e+03    1.82206e+04    1.24325e+04    1.08799e+03   -2.93024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42212e+03    1.03910e+05    2.80337e+05   -1.72022e+04   -2.15468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19513e+04   -1.73504e+06    3.45702e+05   -1.38934e+06    8.06212e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10254e+02   -2.12310e+02   -1.60315e+00    3.40904e-06

           Step           Time
      236035000   472070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49414e+03    1.83290e+04    1.24232e+04    1.04985e+03   -2.83873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51528e+03    1.03686e+05    2.77240e+05   -1.72034e+04   -2.15084e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21041e+04   -1.73404e+06    3.46997e+05   -1.38704e+06    8.09738e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11417e+02   -2.12339e+02   -1.11227e+02    3.71538e-06

           Step           Time
      236040000   472080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40830e+03    1.85120e+04    1.23879e+04    1.00096e+03   -2.83793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50997e+03    1.03459e+05    2.78894e+05   -1.71634e+04   -2.15342e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18723e+04   -1.73538e+06    3.47665e+05   -1.38771e+06    8.12450e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12015e+02   -2.11354e+02   -7.09186e+01    3.51069e-06

           Step           Time
      236045000   472090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40762e+03    1.80636e+04    1.24157e+04    9.94140e+02   -2.77306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59001e+03    1.03587e+05    2.79964e+05   -1.72273e+04   -2.15639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20072e+04   -1.73736e+06    3.46174e+05   -1.39119e+06    8.15988e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10678e+02   -2.12929e+02   -3.30724e+01    3.60739e-06

           Step           Time
      236050000   472100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49587e+03    1.81990e+04    1.23795e+04    1.04953e+03   -2.95481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60557e+03    1.04239e+05    2.81703e+05   -1.72056e+04   -2.15738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21848e+04   -1.73568e+06    3.46811e+05   -1.38887e+06    8.21412e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11250e+02   -2.12393e+02    2.34379e+01    3.45681e-06

           Step           Time
      236055000   472110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51260e+03    1.85437e+04    1.23772e+04    9.77451e+02   -2.92739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46377e+03    1.03507e+05    2.80711e+05   -1.71953e+04   -2.15582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19514e+04   -1.73589e+06    3.48651e+05   -1.38724e+06    8.15950e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12901e+02   -2.12141e+02   -1.88123e+01    3.54780e-06

           Step           Time
      236060000   472120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63734e+03    1.83607e+04    1.23638e+04    1.13000e+03   -2.91019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55387e+03    1.03585e+05    2.79767e+05   -1.71841e+04   -2.15177e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21106e+04   -1.73235e+06    3.46674e+05   -1.38568e+06    8.24588e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11127e+02   -2.11864e+02   -1.63629e+01    3.60288e-06

           Step           Time
      236065000   472130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59223e+03    1.79690e+04    1.22504e+04    1.08608e+03   -2.84735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51960e+03    1.04271e+05    2.79872e+05   -1.71960e+04   -2.15557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19646e+04   -1.73609e+06    3.45780e+05   -1.39031e+06    8.24812e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10324e+02   -2.12156e+02   -2.99605e+01    3.35578e-06

           Step           Time
      236070000   472140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48559e+03    1.81549e+04    1.24055e+04    1.06342e+03   -2.88967e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53020e+03    1.03628e+05    2.80967e+05   -1.72381e+04   -2.15663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19823e+04   -1.73654e+06    3.46173e+05   -1.39037e+06    8.31575e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10676e+02   -2.13196e+02    5.90657e+01    3.37733e-06

           Step           Time
      236075000   472150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52880e+03    1.83668e+04    1.25619e+04    1.12733e+03   -2.88297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45490e+03    1.04026e+05    2.82964e+05   -1.71825e+04   -2.15569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18030e+04   -1.73292e+06    3.45564e+05   -1.38736e+06    8.37925e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10131e+02   -2.11823e+02    1.05916e+02    3.57608e-06

           Step           Time
      236080000   472160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51356e+03    1.82606e+04    1.22726e+04    1.08789e+03   -2.84068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49469e+03    1.03793e+05    2.79975e+05   -1.71725e+04   -2.15352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21480e+04   -1.73398e+06    3.45801e+05   -1.38818e+06    8.36912e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10343e+02   -2.11577e+02   -1.50986e+01    3.38614e-06

           Step           Time
      236085000   472170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72971e+03    1.83906e+04    1.22611e+04    1.08535e+03   -2.93295e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52125e+03    1.03530e+05    2.79443e+05   -1.71768e+04   -2.15129e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20967e+04   -1.73234e+06    3.46438e+05   -1.38591e+06    8.41600e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10915e+02   -2.11684e+02   -6.81692e+01    3.53652e-06

           Step           Time
      236090000   472180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46444e+03    1.83908e+04    1.24617e+04    1.08140e+03   -2.92825e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51645e+03    1.03772e+05    2.81524e+05   -1.72199e+04   -2.15794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19955e+04   -1.73688e+06    3.47243e+05   -1.38963e+06    8.41975e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11637e+02   -2.12745e+02    7.23889e+01    3.51179e-06

           Step           Time
      236095000   472190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51937e+03    1.76733e+04    1.23826e+04    1.01192e+03   -2.95530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58088e+03    1.04164e+05    2.79789e+05   -1.72209e+04   -2.15492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19539e+04   -1.73602e+06    3.44692e+05   -1.39133e+06    8.47462e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09348e+02   -2.12770e+02   -7.53319e+00    3.41755e-06

           Step           Time
      236100000   472200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52181e+03    1.83542e+04    1.24567e+04    1.17265e+03   -2.93724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50916e+03    1.03754e+05    2.80403e+05   -1.71909e+04   -2.15533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20533e+04   -1.73524e+06    3.45595e+05   -1.38964e+06    8.49350e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10158e+02   -2.12032e+02   -3.17216e+01    3.29655e-06

           Step           Time
      236105000   472210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20827e+03    1.84623e+04    1.24623e+04    1.06940e+03   -2.82452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56915e+03    1.03942e+05    2.80490e+05   -1.72042e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21416e+04   -1.73524e+06    3.46686e+05   -1.38856e+06    8.50550e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11137e+02   -2.12359e+02    8.42768e+00    3.39704e-06

           Step           Time
      236110000   472220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35522e+03    1.81762e+04    1.24498e+04    1.11818e+03   -2.85125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59776e+03    1.03990e+05    2.80344e+05   -1.71906e+04   -2.15789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18728e+04   -1.73803e+06    3.45349e+05   -1.39268e+06    8.50812e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09937e+02   -2.12023e+02   -2.46109e+01    3.44023e-06

           Step           Time
      236115000   472230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53772e+03    1.85929e+04    1.24965e+04    1.12369e+03   -2.87560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44623e+03    1.03188e+05    2.79313e+05   -1.72207e+04   -2.15363e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19228e+04   -1.73511e+06    3.45854e+05   -1.38925e+06    8.50350e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10390e+02   -2.12766e+02   -7.56252e+01    3.36900e-06

           Step           Time
      236120000   472240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37145e+03    1.85224e+04    1.23798e+04    1.03506e+03   -2.95163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48860e+03    1.03740e+05    2.79858e+05   -1.71540e+04   -2.15245e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21395e+04   -1.73302e+06    3.47488e+05   -1.38553e+06    8.54725e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11857e+02   -2.11122e+02   -8.87252e+00    3.55537e-06

           Step           Time
      236125000   472250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36431e+03    1.83545e+04    1.25488e+04    1.17684e+03   -2.87459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51883e+03    1.04021e+05    2.80224e+05   -1.72511e+04   -2.15652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18801e+04   -1.73656e+06    3.45699e+05   -1.39086e+06    8.59275e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10251e+02   -2.13517e+02   -1.15122e+01    3.49547e-06

           Step           Time
      236130000   472260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58679e+03    1.84173e+04    1.21954e+04    1.08297e+03   -2.83798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45337e+03    1.03491e+05    2.80254e+05   -1.72101e+04   -2.15465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19308e+04   -1.73529e+06    3.46438e+05   -1.38885e+06    8.62350e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10914e+02   -2.12504e+02   -4.14477e+01    3.51225e-06

           Step           Time
      236135000   472270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59951e+03    1.84390e+04    1.24568e+04    1.08385e+03   -2.97230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33010e+03    1.04011e+05    2.79717e+05   -1.71846e+04   -2.15477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18805e+04   -1.73541e+06    3.48603e+05   -1.38680e+06    8.60150e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12857e+02   -2.11877e+02   -6.73873e+01    3.57013e-06

           Step           Time
      236140000   472280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35427e+03    1.83577e+04    1.24395e+04    1.04647e+03   -2.93707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44989e+03    1.03923e+05    2.77522e+05   -1.71922e+04   -2.15021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18940e+04   -1.73336e+06    3.46005e+05   -1.38735e+06    8.67912e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10526e+02   -2.12064e+02   -9.59974e+01    3.63941e-06

           Step           Time
      236145000   472290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64819e+03    1.83083e+04    1.24627e+04    1.07256e+03   -2.93488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50707e+03    1.03543e+05    2.81345e+05   -1.71898e+04   -2.15713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20371e+04   -1.73633e+06    3.46942e+05   -1.38939e+06    8.71350e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11367e+02   -2.12005e+02   -2.21110e+00    3.59798e-06

           Step           Time
      236150000   472300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45544e+03    1.82185e+04    1.22096e+04    1.11150e+03   -2.82093e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38608e+03    1.04282e+05    2.81324e+05   -1.72120e+04   -2.15629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20274e+04   -1.73531e+06    3.45277e+05   -1.39003e+06    8.74412e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09872e+02   -2.12550e+02    5.51258e+01    3.31344e-06

           Step           Time
      236155000   472310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60949e+03    1.78481e+04    1.24609e+04    1.07291e+03   -3.09783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53744e+03    1.04290e+05    2.80316e+05   -1.71538e+04   -2.15600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18500e+04   -1.73626e+06    3.46202e+05   -1.39006e+06    8.73825e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10703e+02   -2.11117e+02   -1.31405e+02    3.41374e-06

           Step           Time
      236160000   472320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65649e+03    1.84024e+04    1.25336e+04    9.82266e+02   -2.98451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46621e+03    1.03795e+05    2.81566e+05   -1.71978e+04   -2.15632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20268e+04   -1.73507e+06    3.47883e+05   -1.38719e+06    8.80438e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12212e+02   -2.12200e+02    4.48418e+01    3.54485e-06

           Step           Time
      236165000   472330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52362e+03    1.80763e+04    1.22405e+04    1.11800e+03   -3.02129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49035e+03    1.04219e+05    2.81397e+05   -1.72060e+04   -2.15624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19607e+04   -1.73544e+06    3.46914e+05   -1.38852e+06    8.84100e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11342e+02   -2.12404e+02    1.76102e+01    3.54439e-06

           Step           Time
      236170000   472340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77526e+03    1.80939e+04    1.22504e+04    1.02611e+03   -2.94588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48306e+03    1.03725e+05    2.77953e+05   -1.71955e+04   -2.15333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18417e+04   -1.73632e+06    3.46834e+05   -1.38949e+06    8.86250e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11270e+02   -2.12145e+02   -1.29125e+02    3.42054e-06

           Step           Time
      236175000   472350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73017e+03    1.81840e+04    1.24165e+04    1.12286e+03   -2.89402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51282e+03    1.04039e+05    2.79710e+05   -1.72018e+04   -2.15414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20826e+04   -1.73444e+06    3.48618e+05   -1.38582e+06    8.88375e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12871e+02   -2.12300e+02   -8.00004e+01    3.45353e-06

           Step           Time
      236180000   472360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34730e+03    1.80471e+04    1.23717e+04    1.10424e+03   -2.96361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52631e+03    1.04060e+05    2.80690e+05   -1.72155e+04   -2.15692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20146e+04   -1.73693e+06    3.46563e+05   -1.39037e+06    8.90950e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11027e+02   -2.12638e+02    2.13981e+01    3.33351e-06

           Step           Time
      236185000   472370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59590e+03    1.78443e+04    1.22803e+04    1.06287e+03   -2.82013e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60420e+03    1.04268e+05    2.80560e+05   -1.71872e+04   -2.15632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18850e+04   -1.73623e+06    3.47152e+05   -1.38908e+06    8.97425e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11555e+02   -2.11941e+02   -7.28128e+01    3.41482e-06

           Step           Time
      236190000   472380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38533e+03    1.78750e+04    1.23744e+04    1.07540e+03   -2.93986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57116e+03    1.03826e+05    2.83376e+05   -1.72095e+04   -2.15968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19685e+04   -1.73738e+06    3.45582e+05   -1.39179e+06    8.97862e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10146e+02   -2.12490e+02    1.41060e+02    3.38829e-06

           Step           Time
      236195000   472390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72544e+03    1.83082e+04    1.24886e+04    1.12064e+03   -2.78762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49717e+03    1.04032e+05    2.81474e+05   -1.72000e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20449e+04   -1.73386e+06    3.47970e+05   -1.38589e+06    9.01875e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12290e+02   -2.12255e+02    1.78086e+01    3.86414e-06

           Step           Time
      236200000   472400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33109e+03    1.84914e+04    1.23025e+04    1.17401e+03   -2.89982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50756e+03    1.04511e+05    2.81475e+05   -1.71333e+04   -2.15462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20966e+04   -1.73276e+06    3.46378e+05   -1.38638e+06    9.06288e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10861e+02   -2.10613e+02   -3.04831e-01    3.56548e-06

           Step           Time
      236205000   472410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53162e+03    1.79061e+04    1.24282e+04    1.05261e+03   -2.78296e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52923e+03    1.03935e+05    2.79281e+05   -1.72056e+04   -2.15535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20404e+04   -1.73664e+06    3.44963e+05   -1.39167e+06    9.10225e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09591e+02   -2.12393e+02   -7.40485e+01    3.63683e-06

           Step           Time
      236210000   472420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61123e+03    1.79199e+04    1.25284e+04    1.05525e+03   -3.03891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60042e+03    1.04322e+05    2.83521e+05   -1.71934e+04   -2.15981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21094e+04   -1.73637e+06    3.46407e+05   -1.38996e+06    9.15688e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10887e+02   -2.12093e+02    4.40241e+01    3.53077e-06

           Step           Time
      236215000   472430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29641e+03    1.84121e+04    1.25337e+04    1.03708e+03   -3.03217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65505e+03    1.03936e+05    2.80592e+05   -1.72103e+04   -2.15299e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19649e+04   -1.73281e+06    3.45415e+05   -1.38739e+06    9.18475e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09996e+02   -2.12510e+02    1.18311e+02    3.50003e-06

           Step           Time
      236220000   472440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44836e+03    1.81700e+04    1.24840e+04    1.11499e+03   -3.00944e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51071e+03    1.04163e+05    2.84687e+05   -1.72347e+04   -2.16421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18861e+04   -1.74000e+06    3.48111e+05   -1.39188e+06    9.18850e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12416e+02   -2.13111e+02    8.10539e+01    3.48978e-06

           Step           Time
      236225000   472450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72879e+03    1.84005e+04    1.25009e+04    1.07624e+03   -2.93870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56007e+03    1.04302e+05    2.79385e+05   -1.72204e+04   -2.15276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21126e+04   -1.73285e+06    3.46892e+05   -1.38596e+06    9.23550e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11322e+02   -2.12758e+02   -4.27636e+01    3.59397e-06

           Step           Time
      236230000   472460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33440e+03    1.87161e+04    1.23055e+04    9.74677e+02   -2.88555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62420e+03    1.03777e+05    2.84000e+05   -1.72076e+04   -2.16174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18890e+04   -1.73821e+06    3.45425e+05   -1.39278e+06    9.27612e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10006e+02   -2.12443e+02    1.92594e+02    3.50860e-06

           Step           Time
      236235000   472470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53324e+03    1.85706e+04    1.23824e+04    9.73240e+02   -2.91557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51176e+03    1.03753e+05    2.78184e+05   -1.71796e+04   -2.15121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20179e+04   -1.73338e+06    3.47105e+05   -1.38627e+06    9.25888e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11514e+02   -2.11752e+02   -7.45863e+01    3.60930e-06

           Step           Time
      236240000   472480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63232e+03    1.86489e+04    1.24269e+04    1.10755e+03   -2.88542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48994e+03    1.04197e+05    2.81276e+05   -1.71813e+04   -2.15521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19709e+04   -1.73352e+06    3.47442e+05   -1.38608e+06    9.34862e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11816e+02   -2.11795e+02   -8.78578e-01    3.55673e-06

           Step           Time
      236245000   472490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38176e+03    1.87495e+04    1.23587e+04    1.15276e+03   -2.99805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60515e+03    1.03628e+05    2.78078e+05   -1.71831e+04   -2.15300e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19875e+04   -1.73524e+06    3.47738e+05   -1.38750e+06    9.34312e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12082e+02   -2.11838e+02   -7.80894e+01    3.55092e-06

           Step           Time
      236250000   472500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83991e+03    1.83188e+04    1.23582e+04    1.03508e+03   -2.82052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39752e+03    1.03551e+05    2.77673e+05   -1.71663e+04   -2.15174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19202e+04   -1.73463e+06    3.46721e+05   -1.38791e+06    9.33612e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11169e+02   -2.11426e+02   -1.63261e+02    3.44958e-06

           Step           Time
      236255000   472510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68307e+03    1.80269e+04    1.24429e+04    1.05995e+03   -2.93723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48599e+03    1.04413e+05    2.80305e+05   -1.72089e+04   -2.15408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22136e+04   -1.73359e+06    3.47336e+05   -1.38626e+06    9.38362e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11721e+02   -2.12474e+02   -3.79322e+01    3.43352e-06

           Step           Time
      236260000   472520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51592e+03    1.83068e+04    1.25521e+04    1.08940e+03   -2.91541e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66622e+03    1.03960e+05    2.82779e+05   -1.71837e+04   -2.15613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21248e+04   -1.73324e+06    3.45814e+05   -1.38742e+06    9.41638e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10355e+02   -2.11854e+02    1.27148e+02    3.61707e-06

           Step           Time
      236265000   472530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34146e+03    1.82567e+04    1.23572e+04    1.05658e+03   -2.93403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33301e+03    1.04118e+05    2.79135e+05   -1.71377e+04   -2.15301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18752e+04   -1.73461e+06    3.44017e+05   -1.39059e+06    9.44938e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08742e+02   -2.10723e+02   -1.53736e+02    3.67049e-06

           Step           Time
      236270000   472540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73199e+03    1.79297e+04    1.22879e+04    1.09631e+03   -2.85595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51417e+03    1.04245e+05    2.81539e+05   -1.71606e+04   -2.15682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21951e+04   -1.73530e+06    3.45470e+05   -1.38983e+06    9.47612e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10046e+02   -2.11286e+02    3.93258e+01    3.50658e-06

           Step           Time
      236275000   472550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70920e+03    1.80931e+04    1.24591e+04    1.09314e+03   -2.97352e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50054e+03    1.03957e+05    2.80133e+05   -1.71997e+04   -2.15439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20254e+04   -1.73459e+06    3.46550e+05   -1.38804e+06    9.51875e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11015e+02   -2.12249e+02   -4.06155e+01    3.65991e-06

           Step           Time
      236280000   472560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51225e+03    1.82635e+04    1.22600e+04    1.06517e+03   -2.89555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64100e+03    1.04463e+05    2.79022e+05   -1.72376e+04   -2.15372e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19668e+04   -1.73466e+06    3.45318e+05   -1.38934e+06    9.57312e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09910e+02   -2.13184e+02    2.65626e+01    3.59693e-06

           Step           Time
      236285000   472570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65861e+03    1.82654e+04    1.24676e+04    1.03021e+03   -2.87031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56050e+03    1.04231e+05    2.80823e+05   -1.72076e+04   -2.15489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19333e+04   -1.73400e+06    3.46073e+05   -1.38793e+06    9.61062e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10587e+02   -2.12442e+02    3.96598e+01    3.62271e-06

           Step           Time
      236290000   472580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41728e+03    1.83384e+04    1.21288e+04    1.07308e+03   -3.01672e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44678e+03    1.03998e+05    2.82002e+05   -1.71964e+04   -2.15719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20271e+04   -1.73597e+06    3.45010e+05   -1.39096e+06    9.63325e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09633e+02   -2.12166e+02    3.01117e+01    3.59716e-06

           Step           Time
      236295000   472590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59658e+03    1.83970e+04    1.22992e+04    1.13741e+03   -2.90285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44557e+03    1.03825e+05    2.79887e+05   -1.71936e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19934e+04   -1.73607e+06    3.46249e+05   -1.38983e+06    9.62275e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10745e+02   -2.12098e+02   -7.04032e+01    3.57483e-06

           Step           Time
      236300000   472600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71052e+03    1.81160e+04    1.23744e+04    1.08598e+03   -2.77237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42729e+03    1.03921e+05    2.79106e+05   -1.71712e+04   -2.15441e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19735e+04   -1.73564e+06    3.47956e+05   -1.38769e+06    9.59038e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12277e+02   -2.11547e+02   -1.54616e+02    3.62394e-06

           Step           Time
      236305000   472610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53399e+03    1.82563e+04    1.21518e+04    1.10041e+03   -2.96499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51653e+03    1.04257e+05    2.80548e+05   -1.71896e+04   -2.15597e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18918e+04   -1.73587e+06    3.46275e+05   -1.38960e+06    9.66025e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10768e+02   -2.11998e+02   -4.87639e+01    3.54019e-06

           Step           Time
      236310000   472620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47227e+03    1.84648e+04    1.22180e+04    1.03483e+03   -2.89212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52952e+03    1.03941e+05    2.81613e+05   -1.72079e+04   -2.15690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18780e+04   -1.73585e+06    3.46734e+05   -1.38912e+06    9.69338e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11180e+02   -2.12449e+02    1.02728e+02    3.57088e-06

           Step           Time
      236315000   472630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61344e+03    1.83442e+04    1.22796e+04    9.91068e+02   -2.97002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54688e+03    1.04105e+05    2.78798e+05   -1.71564e+04   -2.15228e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18793e+04   -1.73385e+06    3.47737e+05   -1.38611e+06    9.69925e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12081e+02   -2.11181e+02   -1.06714e+02    3.64733e-06

           Step           Time
      236320000   472640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55001e+03    1.83670e+04    1.25249e+04    1.09662e+03   -2.96554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45285e+03    1.03410e+05    2.81872e+05   -1.71594e+04   -2.15677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20120e+04   -1.73561e+06    3.47035e+05   -1.38858e+06    9.77675e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11450e+02   -2.11257e+02    1.25130e+01    3.66193e-06

           Step           Time
      236325000   472650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56118e+03    1.82357e+04    1.25095e+04    1.09617e+03   -2.99332e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58793e+03    1.03766e+05    2.81168e+05   -1.71662e+04   -2.15666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20788e+04   -1.73582e+06    3.48441e+05   -1.38738e+06    9.80025e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12712e+02   -2.11422e+02   -8.40574e+00    3.60805e-06

           Step           Time
      236330000   472660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71361e+03    1.85000e+04    1.24383e+04    1.12927e+03   -2.94055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41510e+03    1.03668e+05    2.80855e+05   -1.71823e+04   -2.15591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19379e+04   -1.73537e+06    3.46776e+05   -1.38860e+06    9.84875e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11218e+02   -2.11819e+02   -5.67833e+01    3.53949e-06

           Step           Time
      236335000   472670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47565e+03    1.87096e+04    1.25933e+04    1.07547e+03   -2.89615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54640e+03    1.03526e+05    2.80485e+05   -1.72059e+04   -2.15445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18934e+04   -1.73425e+06    3.47705e+05   -1.38654e+06    9.85700e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12052e+02   -2.12400e+02    4.73738e+01    3.61945e-06

           Step           Time
      236340000   472680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59471e+03    1.83410e+04    1.24188e+04    1.08527e+03   -2.90492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58679e+03    1.03734e+05    2.78674e+05   -1.71775e+04   -2.15080e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21235e+04   -1.73232e+06    3.46648e+05   -1.38567e+06    9.93900e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11103e+02   -2.11702e+02   -3.68305e+01    3.66185e-06

           Step           Time
      236345000   472690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49173e+03    1.82462e+04    1.23620e+04    1.05140e+03   -2.90705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47133e+03    1.04330e+05    2.80956e+05   -1.71924e+04   -2.15650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19425e+04   -1.73575e+06    3.44409e+05   -1.39134e+06    9.95838e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09094e+02   -2.12067e+02   -5.32068e+01    3.64348e-06

           Step           Time
      236350000   472700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39080e+03    1.85273e+04    1.22002e+04    9.97594e+02   -2.94227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56594e+03    1.03874e+05    2.82843e+05   -1.71894e+04   -2.15895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19447e+04   -1.73673e+06    3.46241e+05   -1.39049e+06    9.96612e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10738e+02   -2.11993e+02    5.92469e+01    3.53683e-06

           Step           Time
      236355000   472710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51746e+03    1.84206e+04    1.23174e+04    1.04491e+03   -2.80037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46966e+03    1.03748e+05    2.77968e+05   -1.72466e+04   -2.15292e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18876e+04   -1.73559e+06    3.45556e+05   -1.39003e+06    9.99450e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10123e+02   -2.13405e+02   -6.14555e+01    3.46896e-06

           Step           Time
      236360000   472720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70617e+03    1.86194e+04    1.24516e+04    1.07244e+03   -2.91597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54701e+03    1.03843e+05    2.79785e+05   -1.71530e+04   -2.15129e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19177e+04   -1.73142e+06    3.45892e+05   -1.38552e+06    1.00132e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10425e+02   -2.11098e+02    2.56068e+01    3.56062e-06

           Step           Time
      236365000   472730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24182e+03    1.83005e+04    1.25991e+04    1.02868e+03   -2.90940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66710e+03    1.03871e+05    2.79286e+05   -1.72105e+04   -2.15351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19557e+04   -1.73468e+06    3.46272e+05   -1.38841e+06    1.00340e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10765e+02   -2.12514e+02    3.35089e+01    3.65621e-06

           Step           Time
      236370000   472740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53177e+03    1.82644e+04    1.22915e+04    1.09931e+03   -2.92780e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53210e+03    1.03680e+05    2.79880e+05   -1.71940e+04   -2.15514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21616e+04   -1.73582e+06    3.46536e+05   -1.38929e+06    1.00386e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11003e+02   -2.12108e+02   -3.86947e+01    3.53694e-06

           Step           Time
      236375000   472750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49548e+03    1.81454e+04    1.26059e+04    1.08737e+03   -2.86212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41366e+03    1.04154e+05    2.81098e+05   -1.71868e+04   -2.15662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20088e+04   -1.73566e+06    3.45183e+05   -1.39048e+06    1.00715e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09788e+02   -2.11930e+02   -3.12517e+01    3.59677e-06

           Step           Time
      236380000   472760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55544e+03    1.85262e+04    1.23714e+04    1.08686e+03   -3.04123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51151e+03    1.04009e+05    2.80135e+05   -1.71448e+04   -2.15354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18927e+04   -1.73364e+06    3.46683e+05   -1.38696e+06    1.00940e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11134e+02   -2.10897e+02   -7.24042e+01    3.58438e-06

           Step           Time
      236385000   472770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56545e+03    1.77745e+04    1.26150e+04    1.15975e+03   -2.87721e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55202e+03    1.04261e+05    2.83001e+05   -1.71889e+04   -2.15990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19409e+04   -1.73709e+06    3.44086e+05   -1.39301e+06    1.01644e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08804e+02   -2.11982e+02    1.34466e+01    3.46055e-06

           Step           Time
      236390000   472780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59205e+03    1.84887e+04    1.23782e+04    1.08041e+03   -2.89688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55682e+03    1.03890e+05    2.81547e+05   -1.72183e+04   -2.15668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21069e+04   -1.73515e+06    3.46266e+05   -1.38889e+06    1.01626e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10760e+02   -2.12706e+02   -1.09025e+01    3.67030e-06

           Step           Time
      236395000   472790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35699e+03    1.80140e+04    1.24145e+04    1.06945e+03   -3.01920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56774e+03    1.04221e+05    2.82461e+05   -1.72578e+04   -2.16032e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19547e+04   -1.73854e+06    3.45557e+05   -1.39298e+06    1.01841e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10124e+02   -2.13682e+02    1.33453e+02    3.57731e-06

           Step           Time
      236400000   472800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42665e+03    1.84101e+04    1.24582e+04    1.02745e+03   -2.97801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43692e+03    1.03597e+05    2.79720e+05   -1.71556e+04   -2.15253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21566e+04   -1.73343e+06    3.48299e+05   -1.38514e+06    1.01854e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12585e+02   -2.11161e+02   -2.85115e+00    3.61836e-06

           Step           Time
      236405000   472810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71053e+03    1.81308e+04    1.25142e+04    1.07968e+03   -2.82499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48664e+03    1.03836e+05    2.79047e+05   -1.71410e+04   -2.15256e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20533e+04   -1.73367e+06    3.46555e+05   -1.38711e+06    1.02425e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11020e+02   -2.10804e+02   -7.38086e+01    3.68229e-06

           Step           Time
      236410000   472820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63400e+03    1.84276e+04    1.23500e+04    1.05158e+03   -2.85460e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65966e+03    1.03590e+05    2.82249e+05   -1.72019e+04   -2.15708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18006e+04   -1.73537e+06    3.48869e+05   -1.38650e+06    1.02962e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13097e+02   -2.12302e+02    1.27041e+02    3.60370e-06

           Step           Time
      236415000   472830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66840e+03    1.83205e+04    1.24835e+04    1.07647e+03   -3.01277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52215e+03    1.03418e+05    2.82184e+05   -1.71771e+04   -2.15499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21990e+04   -1.73331e+06    3.46133e+05   -1.38717e+06    1.03438e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10640e+02   -2.11691e+02    5.40698e+00    3.55967e-06

           Step           Time
      236420000   472840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46399e+03    1.82295e+04    1.23022e+04    1.04754e+03   -2.77147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62231e+03    1.03745e+05    2.81608e+05   -1.72080e+04   -2.15598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19852e+04   -1.73495e+06    3.47603e+05   -1.38735e+06    1.03604e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11960e+02   -2.12452e+02    5.15535e+01    3.57666e-06

           Step           Time
      236425000   472850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34255e+03    1.82198e+04    1.23560e+04    9.96461e+02   -2.88090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47865e+03    1.03692e+05    2.81024e+05   -1.71887e+04   -2.15710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19170e+04   -1.73715e+06    3.47396e+05   -1.38975e+06    1.03658e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11775e+02   -2.11978e+02   -2.43306e+01    3.56122e-06

           Step           Time
      236430000   472860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51174e+03    1.84488e+04    1.22451e+04    1.04347e+03   -3.02208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61096e+03    1.04223e+05    2.82125e+05   -1.71665e+04   -2.15527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20294e+04   -1.73322e+06    3.47167e+05   -1.38605e+06    1.04221e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11569e+02   -2.11430e+02    7.64176e+01    3.68891e-06

           Step           Time
      236435000   472870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44187e+03    1.83894e+04    1.22868e+04    1.12013e+03   -2.75241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45613e+03    1.03998e+05    2.81548e+05   -1.72348e+04   -2.15666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20407e+04   -1.73536e+06    3.47907e+05   -1.38746e+06    1.04199e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12233e+02   -2.13113e+02    7.66338e+01    3.71859e-06

           Step           Time
      236440000   472880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45946e+03    1.83730e+04    1.25065e+04    1.08500e+03   -2.88776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46286e+03    1.03734e+05    2.80940e+05   -1.71851e+04   -2.15601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21100e+04   -1.73542e+06    3.47797e+05   -1.38762e+06    1.04435e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12135e+02   -2.11889e+02   -4.71942e+01    3.76750e-06

           Step           Time
      236445000   472890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51029e+03    1.84183e+04    1.25215e+04    1.06862e+03   -2.87079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44523e+03    1.03555e+05    2.80072e+05   -1.72324e+04   -2.15385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19798e+04   -1.73438e+06    3.47037e+05   -1.38734e+06    1.05180e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11452e+02   -2.13055e+02   -2.36209e+01    3.70781e-06

           Step           Time
      236450000   472900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43821e+03    1.83909e+04    1.24182e+04    1.04495e+03   -2.82278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47599e+03    1.04010e+05    2.80297e+05   -1.72001e+04   -2.15253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18555e+04   -1.73262e+06    3.45778e+05   -1.38684e+06    1.05175e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10322e+02   -2.12257e+02    6.50387e+01    3.56062e-06

Writing checkpoint, step 236452300 at Sat Dec  2 00:08:07 2023


           Step           Time
      236455000   472910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39987e+03    1.81952e+04    1.22405e+04    1.04456e+03   -2.91510e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35190e+03    1.03758e+05    2.78404e+05   -1.71663e+04   -2.15238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19487e+04   -1.73512e+06    3.46597e+05   -1.38852e+06    1.05006e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11057e+02   -2.11425e+02   -1.62551e+02    3.66973e-06

           Step           Time
      236460000   472920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32871e+03    1.84596e+04    1.24521e+04    1.05726e+03   -2.92153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56470e+03    1.03824e+05    2.79413e+05   -1.71750e+04   -2.15324e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18372e+04   -1.73440e+06    3.47845e+05   -1.38655e+06    1.05568e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12177e+02   -2.11640e+02   -7.61570e+01    3.69905e-06

           Step           Time
      236465000   472930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55298e+03    1.83418e+04    1.25481e+04    1.09829e+03   -2.91742e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42220e+03    1.03660e+05    2.80389e+05   -1.72012e+04   -2.15591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20171e+04   -1.73600e+06    3.45289e+05   -1.39071e+06    1.06050e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09883e+02   -2.12284e+02   -7.21958e+01    3.46537e-06

           Step           Time
      236470000   472940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52467e+03    1.81415e+04    1.24300e+04    1.06067e+03   -3.00711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52163e+03    1.03897e+05    2.80071e+05   -1.71812e+04   -2.15477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18939e+04   -1.73542e+06    3.46088e+05   -1.38933e+06    1.06450e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10601e+02   -2.11792e+02   -7.34007e+01    3.53912e-06

           Step           Time
      236475000   472950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59934e+03    1.82005e+04    1.23134e+04    1.10416e+03   -2.91078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37946e+03    1.04325e+05    2.80405e+05   -1.72042e+04   -2.15494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20967e+04   -1.73463e+06    3.46191e+05   -1.38844e+06    1.06555e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10693e+02   -2.12358e+02    1.08730e+01    3.52613e-06

           Step           Time
      236480000   472960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42970e+03    1.80740e+04    1.23190e+04    1.09280e+03   -2.94358e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43086e+03    1.03679e+05    2.80959e+05   -1.72068e+04   -2.15796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18579e+04   -1.73826e+06    3.46386e+05   -1.39188e+06    1.06684e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10868e+02   -2.12423e+02   -6.69481e+01    3.71972e-06

           Step           Time
      236485000   472970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49954e+03    1.81889e+04    1.22304e+04    1.06662e+03   -2.94269e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44940e+03    1.03902e+05    2.81296e+05   -1.72175e+04   -2.15770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20784e+04   -1.73715e+06    3.45503e+05   -1.39165e+06    1.07026e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10076e+02   -2.12688e+02    6.82323e+01    3.51139e-06

           Step           Time
      236490000   472980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.14850e+03    1.85113e+04    1.24510e+04    1.13333e+03   -2.98393e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77125e+03    1.04391e+05    2.81913e+05   -1.72002e+04   -2.15767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19566e+04   -1.73558e+06    3.46809e+05   -1.38877e+06    1.07161e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11248e+02   -2.12260e+02    9.31896e+01    3.54817e-06

           Step           Time
      236495000   472990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50793e+03    1.81782e+04    1.23127e+04    1.04089e+03   -2.92035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44184e+03    1.04069e+05    2.80968e+05   -1.71734e+04   -2.15622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19394e+04   -1.73586e+06    3.46894e+05   -1.38896e+06    1.07186e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11324e+02   -2.11601e+02   -5.24104e+01    3.61721e-06

           Step           Time
      236500000   473000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.22888e+03    1.82986e+04    1.23918e+04    1.00693e+03   -2.91523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54287e+03    1.03962e+05    2.80944e+05   -1.71919e+04   -2.15742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18987e+04   -1.73726e+06    3.48261e+05   -1.38900e+06    1.07291e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12551e+02   -2.12056e+02   -3.39310e+01    3.44346e-06

           Step           Time
      236505000   473010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41520e+03    1.82589e+04    1.25665e+04    1.11184e+03   -2.94028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45286e+03    1.03938e+05    2.80459e+05   -1.71818e+04   -2.15550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20607e+04   -1.73536e+06    3.45057e+05   -1.39030e+06    1.08190e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09675e+02   -2.11807e+02   -2.26061e+01    3.59906e-06

           Step           Time
      236510000   473020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65862e+03    1.83882e+04    1.25284e+04    1.08430e+03   -2.87683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45114e+03    1.03787e+05    2.79938e+05   -1.71920e+04   -2.15299e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18327e+04   -1.73339e+06    3.45266e+05   -1.38813e+06    1.08496e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09863e+02   -2.12059e+02   -9.60132e+01    3.56127e-06

           Step           Time
      236515000   473030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52037e+03    1.81300e+04    1.23821e+04    1.04968e+03   -2.92927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43521e+03    1.04191e+05    2.80616e+05   -1.71952e+04   -2.15562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19632e+04   -1.73546e+06    3.45980e+05   -1.38948e+06    1.08386e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10504e+02   -2.12138e+02   -4.26808e+01    3.39848e-06

           Step           Time
      236520000   473040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62063e+03    1.84442e+04    1.26319e+04    1.08227e+03   -2.97135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56085e+03    1.04073e+05    2.80821e+05   -1.72066e+04   -2.15476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20599e+04   -1.73364e+06    3.46436e+05   -1.38721e+06    1.09006e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10913e+02   -2.12417e+02    2.97674e+01    3.52400e-06

           Step           Time
      236525000   473050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54624e+03    1.87249e+04    1.24655e+04    1.02365e+03   -2.99135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55517e+03    1.03779e+05    2.77504e+05   -1.71868e+04   -2.15062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19008e+04   -1.73330e+06    3.49467e+05   -1.38384e+06    1.08765e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13633e+02   -2.11931e+02   -6.54352e+01    3.58128e-06

           Step           Time
      236530000   473060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53211e+03    1.80731e+04    1.23126e+04    1.08835e+03   -2.93356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44737e+03    1.04071e+05    2.82401e+05   -1.71982e+04   -2.15950e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19287e+04   -1.73778e+06    3.45141e+05   -1.39264e+06    1.09010e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09751e+02   -2.12210e+02    2.64285e+01    3.76410e-06

           Step           Time
      236535000   473070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27480e+03    1.80924e+04    1.23899e+04    1.09550e+03   -2.95971e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49763e+03    1.03648e+05    2.80441e+05   -1.72603e+04   -2.15560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20829e+04   -1.73630e+06    3.45532e+05   -1.39076e+06    1.09511e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10101e+02   -2.13743e+02    9.30764e+01    3.54411e-06

           Step           Time
      236540000   473080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57973e+03    1.84058e+04    1.24844e+04    1.08775e+03   -3.05170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42779e+03    1.03801e+05    2.81612e+05   -1.71627e+04   -2.15656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20664e+04   -1.73531e+06    3.44561e+05   -1.39075e+06    1.09902e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09230e+02   -2.11337e+02    1.22238e+01    3.63018e-06

           Step           Time
      236545000   473090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57052e+03    1.83390e+04    1.26071e+04    1.08171e+03   -3.04945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45033e+03    1.04180e+05    2.80258e+05   -1.71991e+04   -2.15514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19465e+04   -1.73495e+06    3.46833e+05   -1.38812e+06    1.09808e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11270e+02   -2.12234e+02    3.39319e+01    3.44503e-06

           Step           Time
      236550000   473100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47751e+03    1.83296e+04    1.25224e+04    1.07559e+03   -2.92034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51187e+03    1.04025e+05    2.81605e+05   -1.71781e+04   -2.15771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18805e+04   -1.73638e+06    3.47191e+05   -1.38919e+06    1.10138e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11590e+02   -2.11717e+02    8.86250e+00    3.52604e-06

           Step           Time
      236555000   473110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32504e+03    1.83964e+04    1.24392e+04    1.06410e+03   -2.95744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44228e+03    1.03806e+05    2.82886e+05   -1.71838e+04   -2.15783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19745e+04   -1.73564e+06    3.44637e+05   -1.39100e+06    1.10509e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09298e+02   -2.11856e+02    9.75790e+01    3.47384e-06

           Step           Time
      236560000   473120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75728e+03    1.84713e+04    1.23934e+04    1.08355e+03   -2.96680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43234e+03    1.04007e+05    2.83816e+05   -1.72135e+04   -2.16009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20073e+04   -1.73630e+06    3.47093e+05   -1.38921e+06    1.10674e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11502e+02   -2.12589e+02    1.00594e+02    3.54706e-06

           Step           Time
      236565000   473130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39162e+03    1.82407e+04    1.25190e+04    1.09591e+03   -2.96516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61099e+03    1.04491e+05    2.80038e+05   -1.71668e+04   -2.15450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19287e+04   -1.73431e+06    3.47434e+05   -1.38688e+06    1.10864e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11809e+02   -2.11439e+02   -6.37945e+01    3.38801e-06

           Step           Time
      236570000   473140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69504e+03    1.83824e+04    1.22834e+04    9.95235e+02   -2.99773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48418e+03    1.04079e+05    2.78825e+05   -1.71903e+04   -2.15467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18359e+04   -1.73628e+06    3.46847e+05   -1.38943e+06    1.11120e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11282e+02   -2.12016e+02   -1.10339e+02    3.52574e-06

           Step           Time
      236575000   473150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67076e+03    1.84473e+04    1.24430e+04    1.11150e+03   -2.90736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43337e+03    1.04205e+05    2.80005e+05   -1.71872e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20270e+04   -1.73495e+06    3.46882e+05   -1.38807e+06    1.12004e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11313e+02   -2.11940e+02   -2.27670e+01    3.52228e-06

           Step           Time
      236580000   473160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49493e+03    1.85062e+04    1.25124e+04    1.07155e+03   -2.93401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48204e+03    1.04166e+05    2.78416e+05   -1.72027e+04   -2.15447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19917e+04   -1.73596e+06    3.47664e+05   -1.38830e+06    1.11958e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12015e+02   -2.12322e+02   -3.27232e+01    3.51126e-06

           Step           Time
      236585000   473170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62687e+03    1.82326e+04    1.23919e+04    1.11060e+03   -2.77576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52804e+03    1.03829e+05    2.82582e+05   -1.71594e+04   -2.15788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18588e+04   -1.73566e+06    3.47586e+05   -1.38807e+06    1.12295e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11945e+02   -2.11256e+02    2.58121e+00    3.64365e-06

           Step           Time
      236590000   473180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49228e+03    1.85250e+04    1.25223e+04    1.03513e+03   -2.91736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48948e+03    1.04170e+05    2.81935e+05   -1.71950e+04   -2.15656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19041e+04   -1.73460e+06    3.46061e+05   -1.38854e+06    1.13090e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10576e+02   -2.12131e+02    2.15622e+01    3.75538e-06

           Step           Time
      236595000   473190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25761e+03    1.80959e+04    1.25238e+04    1.09109e+03   -2.88470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51949e+03    1.04220e+05    2.82192e+05   -1.71933e+04   -2.15651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18963e+04   -1.73479e+06    3.47002e+05   -1.38779e+06    1.12865e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11421e+02   -2.12089e+02    1.37123e+02    3.70491e-06

           Step           Time
      236600000   473200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46007e+03    1.82048e+04    1.24806e+04    1.08581e+03   -2.92162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45322e+03    1.04091e+05    2.78329e+05   -1.71570e+04   -2.15260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19789e+04   -1.73460e+06    3.45925e+05   -1.38867e+06    1.13258e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10454e+02   -2.11196e+02   -5.45787e+01    3.84514e-06

           Step           Time
      236605000   473210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46385e+03    1.87808e+04    1.23208e+04    1.12481e+03   -3.08345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43746e+03    1.03514e+05    2.76476e+05   -1.71928e+04   -2.15079e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19873e+04   -1.73496e+06    3.47616e+05   -1.38735e+06    1.13482e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11972e+02   -2.12079e+02   -1.92433e+02    3.77098e-06

           Step           Time
      236610000   473220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43035e+03    1.81046e+04    1.23931e+04    1.05842e+03   -2.91918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53456e+03    1.03678e+05    2.81059e+05   -1.71638e+04   -2.15511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19476e+04   -1.73499e+06    3.46369e+05   -1.38862e+06    1.13700e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10853e+02   -2.11363e+02   -2.25742e+01    3.71828e-06

           Step           Time
      236615000   473230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51431e+03    1.79836e+04    1.23425e+04    1.10953e+03   -2.89411e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54833e+03    1.04027e+05    2.80327e+05   -1.72041e+04   -2.15788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20391e+04   -1.73809e+06    3.44266e+05   -1.39382e+06    1.14501e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08965e+02   -2.12357e+02   -7.30275e+01    3.56080e-06

           Step           Time
      236620000   473240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81356e+03    1.82328e+04    1.23944e+04    1.11047e+03   -2.99982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38344e+03    1.03817e+05    2.78861e+05   -1.71991e+04   -2.15286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19580e+04   -1.73449e+06    3.45903e+05   -1.38859e+06    1.14449e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10434e+02   -2.12234e+02   -1.31481e+02    3.64781e-06

           Step           Time
      236625000   473250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30706e+03    1.85585e+04    1.24399e+04    1.09081e+03   -2.97791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40150e+03    1.03420e+05    2.81196e+05   -1.71937e+04   -2.15553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20769e+04   -1.73521e+06    3.46701e+05   -1.38851e+06    1.14729e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11151e+02   -2.12100e+02   -2.67312e+01    3.53460e-06

           Step           Time
      236630000   473260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52934e+03    1.82554e+04    1.23953e+04    1.04294e+03   -2.92812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47875e+03    1.03851e+05    2.78746e+05   -1.72160e+04   -2.15172e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21679e+04   -1.73340e+06    3.46596e+05   -1.38680e+06    1.14899e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11057e+02   -2.12650e+02   -5.48353e+01    3.66089e-06

           Step           Time
      236635000   473270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49248e+03    1.79561e+04    1.23092e+04    1.10651e+03   -2.96402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57726e+03    1.04194e+05    2.82044e+05   -1.71699e+04   -2.15802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19003e+04   -1.73658e+06    3.46599e+05   -1.38998e+06    1.14764e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11059e+02   -2.11514e+02    1.67603e+01    3.57113e-06

           Step           Time
      236640000   473280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26557e+03    1.79759e+04    1.24695e+04    1.14834e+03   -2.89427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46562e+03    1.03593e+05    2.81079e+05   -1.71659e+04   -2.15813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19383e+04   -1.73825e+06    3.47103e+05   -1.39115e+06    1.15139e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11511e+02   -2.11416e+02   -8.81054e+01    3.63302e-06

           Step           Time
      236645000   473290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52754e+03    1.83907e+04    1.26139e+04    1.07199e+03   -2.98050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54448e+03    1.04234e+05    2.81116e+05   -1.71636e+04   -2.15531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21128e+04   -1.73384e+06    3.44970e+05   -1.38887e+06    1.16135e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09597e+02   -2.11359e+02   -4.60192e+01    3.46571e-06

           Step           Time
      236650000   473300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36141e+03    1.86457e+04    1.22311e+04    1.12391e+03   -2.91551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58259e+03    1.04218e+05    2.81919e+05   -1.71786e+04   -2.15691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17772e+04   -1.73514e+06    3.46956e+05   -1.38819e+06    1.16214e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11379e+02   -2.11727e+02    6.11040e+01    3.69909e-06

           Step           Time
      236655000   473310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33550e+03    1.83365e+04    1.23396e+04    1.06851e+03   -2.91217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53971e+03    1.03895e+05    2.80634e+05   -1.71859e+04   -2.15560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20761e+04   -1.73547e+06    3.45538e+05   -1.38993e+06    1.16241e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10107e+02   -2.11907e+02   -3.86838e+01    3.58296e-06

           Step           Time
      236660000   473320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78153e+03    1.88374e+04    1.22473e+04    1.11694e+03   -2.87988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.31958e+03    1.03828e+05    2.78537e+05   -1.71913e+04   -2.14844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19931e+04   -1.72985e+06    3.45954e+05   -1.38390e+06    1.16426e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10480e+02   -2.12040e+02   -1.51925e+01    3.58960e-06

           Step           Time
      236665000   473330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56699e+03    1.86085e+04    1.25163e+04    1.03136e+03   -3.03438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46685e+03    1.03539e+05    2.82794e+05   -1.72096e+04   -2.15666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19789e+04   -1.73440e+06    3.48190e+05   -1.38621e+06    1.16915e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12487e+02   -2.12492e+02    9.30591e+01    3.56101e-06

           Step           Time
      236670000   473340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.17411e+03    1.79354e+04    1.24255e+04    1.00132e+03   -2.92245e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61987e+03    1.04738e+05    2.79645e+05   -1.71480e+04   -2.15329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20290e+04   -1.73379e+06    3.44065e+05   -1.38973e+06    1.17129e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08785e+02   -2.10976e+02   -2.41245e+01    3.49516e-06

           Step           Time
      236675000   473350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50709e+03    1.83374e+04    1.25262e+04    1.10100e+03   -2.98043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48004e+03    1.03513e+05    2.82088e+05   -1.71670e+04   -2.15434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21796e+04   -1.73275e+06    3.45635e+05   -1.38712e+06    1.17170e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10194e+02   -2.11442e+02    1.03432e+02    3.41278e-06

           Step           Time
      236680000   473360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62984e+03    1.81256e+04    1.22353e+04    1.04046e+03   -2.89986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46779e+03    1.03817e+05    2.80081e+05   -1.71682e+04   -2.15488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19692e+04   -1.73559e+06    3.48118e+05   -1.38747e+06    1.17765e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12422e+02   -2.11471e+02   -6.61969e+01    3.64818e-06

           Step           Time
      236685000   473370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54737e+03    1.79219e+04    1.25769e+04    1.23391e+03   -2.95469e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61812e+03    1.03770e+05    2.80570e+05   -1.71683e+04   -2.15370e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18053e+04   -1.73378e+06    3.45804e+05   -1.38797e+06    1.18021e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10346e+02   -2.11475e+02    1.83559e+01    3.49846e-06

           Step           Time
      236690000   473380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68351e+03    1.85026e+04    1.22647e+04    1.08491e+03   -2.84220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51485e+03    1.03792e+05    2.79862e+05   -1.72091e+04   -2.15376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19668e+04   -1.73414e+06    3.45867e+05   -1.38827e+06    1.18882e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10402e+02   -2.12479e+02    5.39887e+00    3.67640e-06

           Step           Time
      236695000   473390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53309e+03    1.84806e+04    1.23522e+04    9.96811e+02   -2.96599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42999e+03    1.03977e+05    2.81983e+05   -1.72001e+04   -2.15553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21976e+04   -1.73375e+06    3.45998e+05   -1.38775e+06    1.19086e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10520e+02   -2.12258e+02    8.47353e+01    3.62566e-06

           Step           Time
      236700000   473400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55476e+03    1.83443e+04    1.23749e+04    1.06175e+03   -2.89009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47560e+03    1.04194e+05    2.80327e+05   -1.71917e+04   -2.15659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21620e+04   -1.73618e+06    3.46961e+05   -1.38922e+06    1.19515e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11384e+02   -2.12052e+02   -2.20856e+01    3.42580e-06

           Step           Time
      236705000   473410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68005e+03    1.82912e+04    1.23601e+04    1.11665e+03   -2.83667e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42337e+03    1.03866e+05    2.79000e+05   -1.71776e+04   -2.15235e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19849e+04   -1.73364e+06    3.46657e+05   -1.38698e+06    1.19859e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11111e+02   -2.11703e+02   -1.63780e+02    3.56140e-06

           Step           Time
      236710000   473420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61395e+03    1.85125e+04    1.23492e+04    1.06331e+03   -2.88800e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48550e+03    1.03800e+05    2.83564e+05   -1.72030e+04   -2.15916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20260e+04   -1.73584e+06    3.47057e+05   -1.38878e+06    1.20400e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11470e+02   -2.12330e+02    1.07142e+02    3.51482e-06

           Step           Time
      236715000   473430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60478e+03    1.80760e+04    1.23971e+04    1.08470e+03   -2.90028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50649e+03    1.03599e+05    2.83312e+05   -1.71805e+04   -2.15901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21214e+04   -1.73639e+06    3.46306e+05   -1.39008e+06    1.20759e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10797e+02   -2.11774e+02    2.87561e+00    3.44079e-06

           Step           Time
      236720000   473440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.16927e+03    1.86480e+04    1.22229e+04    1.06640e+03   -2.99623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51706e+03    1.03734e+05    2.80606e+05   -1.72098e+04   -2.15682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20253e+04   -1.73704e+06    3.46327e+05   -1.39071e+06    1.21110e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10815e+02   -2.12496e+02   -5.51797e+00    3.51092e-06

           Step           Time
      236725000   473450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55648e+03    1.83852e+04    1.23314e+04    1.01843e+03   -2.89722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44104e+03    1.03829e+05    2.81934e+05   -1.72128e+04   -2.15657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20556e+04   -1.73513e+06    3.45754e+05   -1.38937e+06    1.21358e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10300e+02   -2.12572e+02    2.70212e+01    3.46722e-06

           Step           Time
      236730000   473460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51507e+03    1.85744e+04    1.25318e+04    1.12374e+03   -2.92500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52544e+03    1.03968e+05    2.80186e+05   -1.71574e+04   -2.15206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21697e+04   -1.73154e+06    3.47507e+05   -1.38404e+06    1.21685e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11874e+02   -2.11206e+02   -9.15648e-01    3.52177e-06

           Step           Time
      236735000   473470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43176e+03    1.82801e+04    1.23599e+04    1.03212e+03   -2.88592e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48567e+03    1.04142e+05    2.81778e+05   -1.72120e+04   -2.15749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20133e+04   -1.73607e+06    3.46850e+05   -1.38922e+06    1.21591e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11284e+02   -2.12550e+02    7.57581e+01    3.55667e-06

           Step           Time
      236740000   473480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41805e+03    1.80055e+04    1.24306e+04    1.01699e+03   -2.91804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54940e+03    1.04329e+05    2.81002e+05   -1.72299e+04   -2.15423e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19125e+04   -1.73371e+06    3.47061e+05   -1.38665e+06    1.21576e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11474e+02   -2.12992e+02    9.34267e+01    3.54010e-06

           Step           Time
      236745000   473490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30660e+03    1.86173e+04    1.23194e+04    1.00812e+03   -2.88851e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66688e+03    1.03924e+05    2.81237e+05   -1.71887e+04   -2.15612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20169e+04   -1.73510e+06    3.47716e+05   -1.38739e+06    1.22206e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12061e+02   -2.11977e+02    1.34939e+02    3.55671e-06

           Step           Time
      236750000   473500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76623e+03    1.81863e+04    1.25259e+04    1.01308e+03   -2.97213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42714e+03    1.03568e+05    2.81624e+05   -1.71813e+04   -2.15493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19722e+04   -1.73400e+06    3.46607e+05   -1.38739e+06    1.22341e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11066e+02   -2.11794e+02   -3.66497e+01    3.66613e-06

           Step           Time
      236755000   473510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78961e+03    1.85314e+04    1.23569e+04    1.17822e+03   -2.85801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49601e+03    1.03888e+05    2.78940e+05   -1.72214e+04   -2.15041e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19807e+04   -1.73132e+06    3.48157e+05   -1.38317e+06    1.22862e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12457e+02   -2.12784e+02    8.65020e+00    3.65069e-06

           Step           Time
      236760000   473520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60808e+03    1.82273e+04    1.23571e+04    1.02707e+03   -2.82783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51279e+03    1.04288e+05    2.81523e+05   -1.71886e+04   -2.15586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20854e+04   -1.73425e+06    3.47614e+05   -1.38664e+06    1.23216e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11970e+02   -2.11973e+02    5.97779e+01    3.64755e-06

           Step           Time
      236765000   473530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42497e+03    1.82051e+04    1.26169e+04    1.16497e+03   -2.91693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48904e+03    1.04095e+05    2.79774e+05   -1.72259e+04   -2.15442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20427e+04   -1.73475e+06    3.46859e+05   -1.38789e+06    1.23515e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11293e+02   -2.12894e+02    2.59380e+01    3.68502e-06

           Step           Time
      236770000   473540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81909e+03    1.81831e+04    1.24481e+04    1.12083e+03   -2.88484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49584e+03    1.04681e+05    2.77724e+05   -1.72098e+04   -2.15279e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19054e+04   -1.73451e+06    3.48067e+05   -1.38644e+06    1.23795e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12376e+02   -2.12496e+02   -8.04670e+01    3.60212e-06

           Step           Time
      236775000   473550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51818e+03    1.83610e+04    1.25007e+04    1.06087e+03   -2.87272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55756e+03    1.03881e+05    2.83030e+05   -1.71681e+04   -2.15906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20579e+04   -1.73613e+06    3.47075e+05   -1.38906e+06    1.24435e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11487e+02   -2.11471e+02    5.45250e+01    3.52197e-06

           Step           Time
      236780000   473560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75207e+03    1.84090e+04    1.25469e+04    1.14458e+03   -2.95299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55628e+03    1.03475e+05    2.79790e+05   -1.72001e+04   -2.15446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18701e+04   -1.73507e+06    3.47237e+05   -1.38783e+06    1.24298e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11632e+02   -2.12258e+02   -5.75702e+01    3.63400e-06

           Step           Time
      236785000   473570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59580e+03    1.86310e+04    1.24804e+04    1.10725e+03   -2.89545e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56405e+03    1.03707e+05    2.82889e+05   -1.72402e+04   -2.15737e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19569e+04   -1.73458e+06    3.46582e+05   -1.38800e+06    1.25022e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11044e+02   -2.13248e+02    1.46602e+02    3.62175e-06

           Step           Time
      236790000   473580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89505e+03    1.82730e+04    1.25947e+04    1.09901e+03   -2.98031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44242e+03    1.03550e+05    2.79105e+05   -1.72351e+04   -2.15363e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19162e+04   -1.73497e+06    3.48168e+05   -1.38680e+06    1.25100e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12467e+02   -2.13122e+02   -1.15424e+02    3.66241e-06

           Step           Time
      236795000   473590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26561e+03    1.83898e+04    1.24783e+04    1.18896e+03   -2.95701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68100e+03    1.04263e+05    2.78717e+05   -1.71958e+04   -2.15210e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20301e+04   -1.73324e+06    3.47636e+05   -1.38560e+06    1.25382e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11990e+02   -2.12151e+02    2.77612e+01    3.42274e-06

           Step           Time
      236800000   473600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26344e+03    1.80138e+04    1.25389e+04    1.00644e+03   -3.00683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51781e+03    1.03789e+05    2.82373e+05   -1.71398e+04   -2.15652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21620e+04   -1.73500e+06    3.45977e+05   -1.38903e+06    1.25674e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10501e+02   -2.10773e+02    6.68950e+00    3.57225e-06

           Step           Time
      236805000   473610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40650e+03    1.83941e+04    1.24244e+04    9.71274e+02   -2.95461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54920e+03    1.03586e+05    2.79656e+05   -1.71583e+04   -2.15429e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18457e+04   -1.73557e+06    3.44989e+05   -1.39058e+06    1.26331e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09614e+02   -2.11228e+02   -6.14461e+01    3.66226e-06

           Step           Time
      236810000   473620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48034e+03    1.83254e+04    1.24477e+04    1.11660e+03   -2.90428e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72143e+03    1.04215e+05    2.81673e+05   -1.72021e+04   -2.15712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19838e+04   -1.73526e+06    3.46914e+05   -1.38835e+06    1.26354e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11342e+02   -2.12306e+02    1.07464e+02    3.66079e-06

           Step           Time
      236815000   473630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57422e+03    1.82678e+04    1.24715e+04    1.00126e+03   -3.03308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58715e+03    1.03728e+05    2.80824e+05   -1.72418e+04   -2.15637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18034e+04   -1.73638e+06    3.45971e+05   -1.39041e+06    1.26794e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10496e+02   -2.13287e+02    2.29166e+01    3.49941e-06

           Step           Time
      236820000   473640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52316e+03    1.85247e+04    1.24432e+04    1.04620e+03   -2.88192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65113e+03    1.03527e+05    2.83742e+05   -1.71973e+04   -2.15905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20161e+04   -1.73565e+06    3.46273e+05   -1.38938e+06    1.26835e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10766e+02   -2.12190e+02    7.83910e+01    3.52246e-06

           Step           Time
      236825000   473650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53709e+03    1.83411e+04    1.23267e+04    9.87915e+02   -2.91971e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44263e+03    1.03836e+05    2.80656e+05   -1.71879e+04   -2.15512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17044e+04   -1.73539e+06    3.44282e+05   -1.39111e+06    1.27744e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08979e+02   -2.11957e+02   -5.70634e+01    3.53639e-06

           Step           Time
      236830000   473660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71011e+03    1.85292e+04    1.24931e+04    1.02141e+03   -3.01581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46378e+03    1.03750e+05    2.77249e+05   -1.71972e+04   -2.14896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19598e+04   -1.73200e+06    3.47345e+05   -1.38466e+06    1.27945e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11728e+02   -2.12185e+02   -8.61596e+01    3.60157e-06

           Step           Time
      236835000   473670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69391e+03    1.81642e+04    1.24366e+04    1.13718e+03   -2.96375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.31896e+03    1.04159e+05    2.78513e+05   -1.71914e+04   -2.15305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20081e+04   -1.73478e+06    3.44989e+05   -1.38979e+06    1.28451e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09614e+02   -2.12044e+02   -1.82643e+02    3.60939e-06

           Step           Time
      236840000   473680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69550e+03    1.80334e+04    1.24338e+04    1.05638e+03   -2.85161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51476e+03    1.03932e+05    2.81393e+05   -1.71834e+04   -2.15355e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20510e+04   -1.73247e+06    3.45620e+05   -1.38685e+06    1.28779e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10180e+02   -2.11847e+02    4.13424e+01    3.44917e-06

           Step           Time
      236845000   473690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46690e+03    1.80855e+04    1.24094e+04    9.72521e+02   -2.86018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50424e+03    1.04408e+05    2.82715e+05   -1.72108e+04   -2.15877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20524e+04   -1.73622e+06    3.48023e+05   -1.38820e+06    1.29070e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12337e+02   -2.12523e+02    6.65064e+01    3.58701e-06

           Step           Time
      236850000   473700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53807e+03    1.83558e+04    1.25151e+04    1.09188e+03   -3.00301e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38281e+03    1.04189e+05    2.81997e+05   -1.72216e+04   -2.15878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19213e+04   -1.73701e+06    3.45796e+05   -1.39122e+06    1.29388e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10339e+02   -2.12788e+02    1.17173e+01    3.42825e-06

           Step           Time
      236855000   473710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68735e+03    1.84876e+04    1.23276e+04    1.00782e+03   -2.88411e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55686e+03    1.03907e+05    2.78919e+05   -1.72098e+04   -2.15374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19388e+04   -1.73500e+06    3.48439e+05   -1.38656e+06    1.30004e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12711e+02   -2.12497e+02   -6.47273e+01    3.54649e-06

           Step           Time
      236860000   473720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51411e+03    1.81398e+04    1.25084e+04    1.10160e+03   -2.89194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59118e+03    1.04185e+05    2.78654e+05   -1.71893e+04   -2.15144e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21511e+04   -1.73267e+06    3.48479e+05   -1.38419e+06    1.29686e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12746e+02   -2.11991e+02   -7.98456e+01    3.60220e-06

           Step           Time
      236865000   473730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50939e+03    1.80100e+04    1.25898e+04    1.05540e+03   -2.95146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51163e+03    1.04306e+05    2.81554e+05   -1.71802e+04   -2.15728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20051e+04   -1.73587e+06    3.45534e+05   -1.39033e+06    1.30368e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10104e+02   -2.11767e+02    9.59145e+00    3.66574e-06

           Step           Time
      236870000   473740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36403e+03    1.81330e+04    1.25412e+04    1.11989e+03   -2.84598e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62071e+03    1.04142e+05    2.80109e+05   -1.71892e+04   -2.15376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18823e+04   -1.73389e+06    3.46114e+05   -1.38777e+06    1.30319e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10624e+02   -2.11988e+02    4.89464e+01    3.68332e-06

           Step           Time
      236875000   473750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61858e+03    1.81148e+04    1.24584e+04    1.13096e+03   -2.86523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56238e+03    1.04524e+05    2.78885e+05   -1.71253e+04   -2.15215e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20605e+04   -1.73279e+06    3.47508e+05   -1.38528e+06    1.30505e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11875e+02   -2.10417e+02   -5.26441e+01    3.35388e-06

           Step           Time
      236880000   473760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43307e+03    1.83403e+04    1.23211e+04    1.03194e+03   -2.93763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48244e+03    1.04257e+05    2.83527e+05   -1.71820e+04   -2.15847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20425e+04   -1.73516e+06    3.47427e+05   -1.38773e+06    1.30890e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11802e+02   -2.11813e+02    1.36688e+02    3.65963e-06

           Step           Time
      236885000   473770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43950e+03    1.83063e+04    1.22739e+04    1.11139e+03   -2.90377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48685e+03    1.04175e+05    2.80150e+05   -1.71557e+04   -2.15659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20245e+04   -1.73668e+06    3.45422e+05   -1.39125e+06    1.31582e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10003e+02   -2.11165e+02   -8.87607e+01    3.59777e-06

           Step           Time
      236890000   473780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65948e+03    1.80129e+04    1.24141e+04    1.01383e+03   -2.86057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48920e+03    1.04185e+05    2.83457e+05   -1.72084e+04   -2.15945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20096e+04   -1.73627e+06    3.46216e+05   -1.39006e+06    1.31888e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10715e+02   -2.12462e+02    1.01039e+02    3.51361e-06

           Step           Time
      236895000   473790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48988e+03    1.81193e+04    1.23086e+04    1.06877e+03   -2.94874e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55159e+03    1.04014e+05    2.79931e+05   -1.72131e+04   -2.15399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20549e+04   -1.73461e+06    3.44488e+05   -1.39012e+06    1.31938e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09164e+02   -2.12578e+02    2.09712e+01    3.44878e-06

           Step           Time
      236900000   473800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49459e+03    1.84141e+04    1.24356e+04    1.12188e+03   -2.86807e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53051e+03    1.03984e+05    2.80314e+05   -1.71725e+04   -2.15391e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19764e+04   -1.73368e+06    3.46079e+05   -1.38760e+06    1.32501e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10593e+02   -2.11577e+02   -2.55956e+01    3.82405e-06

           Step           Time
      236905000   473810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70899e+03    1.81209e+04    1.21996e+04    1.11850e+03   -2.79832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49369e+03    1.03727e+05    2.78547e+05   -1.71664e+04   -2.15101e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20575e+04   -1.73301e+06    3.44343e+05   -1.38866e+06    1.32856e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09034e+02   -2.11427e+02   -1.10970e+02    3.47551e-06

           Step           Time
      236910000   473820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63558e+03    1.83146e+04    1.22655e+04    1.10296e+03   -2.90359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56258e+03    1.03922e+05    2.78331e+05   -1.71763e+04   -2.15331e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19248e+04   -1.73533e+06    3.45900e+05   -1.38943e+06    1.32838e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10431e+02   -2.11672e+02   -1.33645e+02    3.46760e-06

           Step           Time
      236915000   473830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48063e+03    1.83691e+04    1.24452e+04    1.09982e+03   -2.81040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42656e+03    1.03846e+05    2.81332e+05   -1.71796e+04   -2.15673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19947e+04   -1.73572e+06    3.46108e+05   -1.38961e+06    1.33202e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10618e+02   -2.11753e+02   -3.51902e+01    3.62933e-06

           Step           Time
      236920000   473840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82996e+03    1.83425e+04    1.26107e+04    1.08441e+03   -3.08370e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47585e+03    1.03742e+05    2.80576e+05   -1.71691e+04   -2.15692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20360e+04   -1.73647e+06    3.45001e+05   -1.39147e+06    1.33329e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09625e+02   -2.11495e+02   -7.20626e+01    3.41990e-06

           Step           Time
      236925000   473850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56510e+03    1.81396e+04    1.24337e+04    1.14837e+03   -2.91548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51356e+03    1.04404e+05    2.83000e+05   -1.71884e+04   -2.15886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20520e+04   -1.73571e+06    3.46612e+05   -1.38910e+06    1.33454e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11071e+02   -2.11970e+02    6.38882e+01    3.77861e-06

           Step           Time
      236930000   473860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38540e+03    1.86201e+04    1.25095e+04    1.06410e+03   -2.95827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51457e+03    1.03929e+05    2.80609e+05   -1.72075e+04   -2.15358e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22384e+04   -1.73287e+06    3.46267e+05   -1.38660e+06    1.33998e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10761e+02   -2.12440e+02    2.14020e+01    3.54429e-06

           Step           Time
      236935000   473870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47389e+03    1.79236e+04    1.23917e+04    1.08529e+03   -2.82039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59016e+03    1.04275e+05    2.82110e+05   -1.71884e+04   -2.15895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19142e+04   -1.73719e+06    3.46366e+05   -1.39083e+06    1.34741e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10850e+02   -2.11968e+02    3.82012e+01    3.41961e-06

           Step           Time
      236940000   473880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.17445e+03    1.77460e+04    1.24280e+04    1.01630e+03   -2.92636e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64136e+03    1.04237e+05    2.81518e+05   -1.72083e+04   -2.15831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19408e+04   -1.73774e+06    3.44978e+05   -1.39276e+06    1.34612e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09604e+02   -2.12459e+02    9.24022e+01    3.53226e-06

           Step           Time
      236945000   473890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71045e+03    1.81014e+04    1.25340e+04    1.09088e+03   -2.85842e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54745e+03    1.04483e+05    2.81799e+05   -1.71965e+04   -2.15552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20413e+04   -1.73327e+06    3.48166e+05   -1.38511e+06    1.35268e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12465e+02   -2.12170e+02    1.30278e+01    3.41072e-06

           Step           Time
      236950000   473900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29255e+03    1.81974e+04    1.24500e+04    1.12526e+03   -2.96638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57993e+03    1.04000e+05    2.79714e+05   -1.71839e+04   -2.15266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19610e+04   -1.73349e+06    3.46850e+05   -1.38664e+06    1.35209e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11284e+02   -2.11858e+02    2.52077e+01    3.67245e-06

           Step           Time
      236955000   473910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45710e+03    1.82565e+04    1.24368e+04    1.09419e+03   -3.03847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50419e+03    1.04058e+05    2.80651e+05   -1.72103e+04   -2.15467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19977e+04   -1.73446e+06    3.46384e+05   -1.38808e+06    1.35726e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10866e+02   -2.12509e+02    6.23759e+01    3.55743e-06

           Step           Time
      236960000   473920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52173e+03    1.82000e+04    1.25790e+04    1.04619e+03   -2.88864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63596e+03    1.04088e+05    2.80206e+05   -1.71968e+04   -2.15366e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22067e+04   -1.73326e+06    3.47059e+05   -1.38620e+06    1.36041e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11472e+02   -2.12177e+02    3.68965e+01    3.29731e-06

           Step           Time
      236965000   473930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49209e+03    1.81605e+04    1.23776e+04    1.13715e+03   -2.98306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57589e+03    1.04144e+05    2.82844e+05   -1.72060e+04   -2.15973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18838e+04   -1.73731e+06    3.46745e+05   -1.39056e+06    1.36774e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11190e+02   -2.12404e+02    1.05188e+02    3.55045e-06

           Step           Time
      236970000   473940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41357e+03    1.84996e+04    1.22361e+04    1.05834e+03   -2.82379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57440e+03    1.04156e+05    2.82566e+05   -1.72107e+04   -2.15787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20243e+04   -1.73537e+06    3.48964e+05   -1.38641e+06    1.36579e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13182e+02   -2.12519e+02    9.19140e+01    3.63342e-06

           Step           Time
      236975000   473950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45418e+03    1.80830e+04    1.23386e+04    1.06281e+03   -2.92717e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53369e+03    1.04303e+05    2.80212e+05   -1.71709e+04   -2.15411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20409e+04   -1.73418e+06    3.46590e+05   -1.38759e+06    1.37005e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11051e+02   -2.11538e+02   -9.97752e+00    3.68939e-06

           Step           Time
      236980000   473960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49456e+03    1.83454e+04    1.23284e+04    1.08649e+03   -3.06430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58106e+03    1.04509e+05    2.77608e+05   -1.71953e+04   -2.15183e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20811e+04   -1.73406e+06    3.46488e+05   -1.38757e+06    1.37662e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10960e+02   -2.12139e+02   -5.62489e+01    3.58458e-06

           Step           Time
      236985000   473970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49965e+03    1.80492e+04    1.26651e+04    1.13707e+03   -2.97943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50075e+03    1.04486e+05    2.80354e+05   -1.71934e+04   -2.15337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20116e+04   -1.73284e+06    3.45680e+05   -1.38716e+06    1.37720e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10234e+02   -2.12092e+02    5.98577e-01    3.60879e-06

           Step           Time
      236990000   473980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53975e+03    1.84372e+04    1.24069e+04    1.03255e+03   -2.92722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51469e+03    1.03986e+05    2.80585e+05   -1.72056e+04   -2.15675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21460e+04   -1.73624e+06    3.47396e+05   -1.38884e+06    1.38121e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11775e+02   -2.12394e+02   -2.81628e+01    3.35381e-06

           Step           Time
      236995000   473990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57795e+03    1.88128e+04    1.24329e+04    1.07215e+03   -2.99276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60399e+03    1.03575e+05    2.78026e+05   -1.71836e+04   -2.15002e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21007e+04   -1.73199e+06    3.47268e+05   -1.38473e+06    1.38698e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11659e+02   -2.11852e+02    1.15761e+01    3.64891e-06

           Step           Time
      237000000   474000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28576e+03    1.79245e+04    1.25510e+04    1.08257e+03   -2.98227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63901e+03    1.03760e+05    2.81619e+05   -1.71762e+04   -2.15618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17764e+04   -1.73570e+06    3.46025e+05   -1.38968e+06    1.38711e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10544e+02   -2.11670e+02    2.68824e+01    3.44233e-06

           Step           Time
      237005000   474010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39977e+03    1.80056e+04    1.23770e+04    1.06058e+03   -2.88634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59433e+03    1.04072e+05    2.82393e+05   -1.72000e+04   -2.15864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20348e+04   -1.73678e+06    3.46372e+05   -1.39041e+06    1.38830e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10855e+02   -2.12255e+02    7.83045e+01    3.49728e-06

           Step           Time
      237010000   474020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75898e+03    1.81721e+04    1.22514e+04    1.06416e+03   -2.86699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57060e+03    1.04447e+05    2.82728e+05   -1.72608e+04   -2.15779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19951e+04   -1.73493e+06    3.46089e+05   -1.38884e+06    1.39569e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10602e+02   -2.13756e+02    1.45378e+02    3.49192e-06

           Step           Time
      237015000   474030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55599e+03    1.80458e+04    1.23611e+04    1.11798e+03   -2.89130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62545e+03    1.04509e+05    2.80121e+05   -1.71927e+04   -2.15575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19926e+04   -1.73550e+06    3.47324e+05   -1.38818e+06    1.39470e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11710e+02   -2.12076e+02    4.10673e+00    3.72758e-06

           Step           Time
      237020000   474040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62396e+03    1.85300e+04    1.23528e+04    1.07100e+03   -2.82182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54307e+03    1.03337e+05    2.82393e+05   -1.72103e+04   -2.15585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20601e+04   -1.73397e+06    3.47494e+05   -1.38648e+06    1.39791e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11862e+02   -2.12511e+02    1.13066e+02    3.70113e-06

           Step           Time
      237025000   474050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31565e+03    1.84807e+04    1.25374e+04    1.14314e+03   -2.94230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59170e+03    1.03658e+05    2.80206e+05   -1.72123e+04   -2.15494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17850e+04   -1.73538e+06    3.46996e+05   -1.38838e+06    1.40128e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11415e+02   -2.12559e+02    8.65053e+00    3.62280e-06

           Step           Time
      237030000   474060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38237e+03    1.81489e+04    1.25453e+04    1.06766e+03   -2.92194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55453e+03    1.03687e+05    2.82344e+05   -1.72079e+04   -2.15630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20221e+04   -1.73468e+06    3.47150e+05   -1.38753e+06    1.40364e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11553e+02   -2.12451e+02    4.78093e+01    3.78728e-06

           Step           Time
      237035000   474070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46251e+03    1.79731e+04    1.24204e+04    1.08509e+03   -2.88653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72593e+03    1.04024e+05    2.80898e+05   -1.71975e+04   -2.15508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19900e+04   -1.73459e+06    3.46862e+05   -1.38772e+06    1.41120e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11296e+02   -2.12194e+02    7.56721e+01    3.54008e-06

           Step           Time
      237040000   474080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83433e+03    1.85181e+04    1.24304e+04    1.11192e+03   -2.95743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35621e+03    1.03989e+05    2.80694e+05   -1.71628e+04   -2.15471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20434e+04   -1.73386e+06    3.48448e+05   -1.38541e+06    1.41641e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12718e+02   -2.11340e+02   -5.63044e+01    3.54681e-06

           Step           Time
      237045000   474090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44199e+03    1.83295e+04    1.24258e+04    1.02557e+03   -2.82363e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55249e+03    1.03690e+05    2.80052e+05   -1.71764e+04   -2.15405e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18204e+04   -1.73472e+06    3.45754e+05   -1.38896e+06    1.41374e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10301e+02   -2.11673e+02   -9.30217e+01    3.40886e-06

           Step           Time
      237050000   474100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47848e+03    1.79826e+04    1.23731e+04    1.10675e+03   -2.90311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63627e+03    1.03796e+05    2.81821e+05   -1.72012e+04   -2.15605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18365e+04   -1.73512e+06    3.45530e+05   -1.38959e+06    1.41501e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10100e+02   -2.12285e+02    1.01203e+02    3.54476e-06

           Step           Time
      237055000   474110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45284e+03    1.81916e+04    1.22969e+04    1.06045e+03   -2.84002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49674e+03    1.03748e+05    2.79725e+05   -1.71631e+04   -2.15426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21152e+04   -1.73517e+06    3.46178e+05   -1.38899e+06    1.41669e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10682e+02   -2.11346e+02   -5.84233e+01    3.54408e-06

           Step           Time
      237060000   474120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63876e+03    1.81293e+04    1.25660e+04    1.14007e+03   -3.04031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58010e+03    1.03271e+05    2.81117e+05   -1.71819e+04   -2.15494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19318e+04   -1.73478e+06    3.48552e+05   -1.38623e+06    1.41829e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12812e+02   -2.11810e+02    7.36061e+01    3.47815e-06

           Step           Time
      237065000   474130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36400e+03    1.83847e+04    1.22899e+04    1.09909e+03   -2.80943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50982e+03    1.03654e+05    2.81397e+05   -1.71946e+04   -2.15524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19941e+04   -1.73455e+06    3.46660e+05   -1.38789e+06    1.42448e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11114e+02   -2.12122e+02    1.00672e+02    3.68005e-06

           Step           Time
      237070000   474140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65000e+03    1.82444e+04    1.24707e+04    1.03235e+03   -2.88588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42340e+03    1.04141e+05    2.82182e+05   -1.71871e+04   -2.15819e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17732e+04   -1.73635e+06    3.48783e+05   -1.38756e+06    1.42765e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13019e+02   -2.11936e+02    2.75881e+01    3.67089e-06

           Step           Time
      237075000   474150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78933e+03    1.79930e+04    1.22867e+04    1.04117e+03   -2.82367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42485e+03    1.03698e+05    2.82047e+05   -1.72221e+04   -2.15781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19820e+04   -1.73660e+06    3.46822e+05   -1.38977e+06    1.42985e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11259e+02   -2.12800e+02    7.92016e+01    3.54282e-06

           Step           Time
      237080000   474160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55406e+03    1.84816e+04    1.25154e+04    1.12618e+03   -2.90021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50424e+03    1.03581e+05    2.80837e+05   -1.71420e+04   -2.15426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20693e+04   -1.73363e+06    3.47834e+05   -1.38580e+06    1.43180e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12168e+02   -2.10829e+02   -9.45886e+00    3.64411e-06

           Step           Time
      237085000   474170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65828e+03    1.84670e+04    1.23073e+04    1.05244e+03   -2.79012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34074e+03    1.03770e+05    2.82903e+05   -1.71549e+04   -2.15953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20035e+04   -1.73697e+06    3.47037e+05   -1.38993e+06    1.43619e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11452e+02   -2.11145e+02   -3.22504e+01    3.52810e-06

           Step           Time
      237090000   474180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43156e+03    1.79747e+04    1.23559e+04    1.03091e+03   -2.90388e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63641e+03    1.03677e+05    2.81608e+05   -1.71744e+04   -2.15351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19585e+04   -1.73292e+06    3.46701e+05   -1.38622e+06    1.43850e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11151e+02   -2.11625e+02    8.83200e+01    3.51734e-06

           Step           Time
      237095000   474190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44274e+03    1.84799e+04    1.22513e+04    1.12771e+03   -2.82946e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64054e+03    1.04090e+05    2.79177e+05   -1.71993e+04   -2.15362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19891e+04   -1.73445e+06    3.46109e+05   -1.38834e+06    1.44739e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10620e+02   -2.12237e+02   -2.12678e+01    3.56682e-06

           Step           Time
      237100000   474200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35224e+03    1.84755e+04    1.25444e+04    1.09635e+03   -2.91974e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51286e+03    1.03868e+05    2.80073e+05   -1.71756e+04   -2.15358e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19732e+04   -1.73378e+06    3.46132e+05   -1.38765e+06    1.44831e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10640e+02   -2.11655e+02    2.99672e+01    3.48563e-06

           Step           Time
      237105000   474210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44735e+03    1.83639e+04    1.24096e+04    1.10721e+03   -2.87232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52872e+03    1.03729e+05    2.80308e+05   -1.72031e+04   -2.15313e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20710e+04   -1.73325e+06    3.46477e+05   -1.38677e+06    1.44882e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10950e+02   -2.12332e+02   -1.48862e+01    3.50678e-06

           Step           Time
      237110000   474220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73665e+03    1.84236e+04    1.23303e+04    1.19302e+03   -2.91469e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52613e+03    1.03495e+05    2.82507e+05   -1.72508e+04   -2.15856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19800e+04   -1.73653e+06    3.47679e+05   -1.38885e+06    1.45534e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12029e+02   -2.13509e+02    7.68836e+01    3.53644e-06

           Step           Time
      237115000   474230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56292e+03    1.84189e+04    1.24508e+04    1.14604e+03   -2.86804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50174e+03    1.03809e+05    2.78129e+05   -1.71890e+04   -2.14962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20368e+04   -1.73162e+06    3.46552e+05   -1.38507e+06    1.45560e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11017e+02   -2.11984e+02   -5.36464e+01    3.52847e-06

           Step           Time
      237120000   474240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44089e+03    1.84002e+04    1.23449e+04    1.05307e+03   -2.83238e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48338e+03    1.04427e+05    2.81224e+05   -1.71834e+04   -2.15636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20591e+04   -1.73494e+06    3.46087e+05   -1.38885e+06    1.45948e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10599e+02   -2.11847e+02    3.49479e+01    3.62513e-06

           Step           Time
      237125000   474250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41186e+03    1.87443e+04    1.24074e+04    1.10138e+03   -2.82343e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32827e+03    1.03550e+05    2.81008e+05   -1.71797e+04   -2.15437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20326e+04   -1.73379e+06    3.46915e+05   -1.38688e+06    1.45925e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11343e+02   -2.11756e+02    5.01918e+01    3.58848e-06

Writing checkpoint, step 237125400 at Sat Dec  2 00:23:07 2023


           Step           Time
      237130000   474260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59185e+03    1.79643e+04    1.23143e+04    1.01635e+03   -2.94915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47600e+03    1.04277e+05    2.78429e+05   -1.71994e+04   -2.15313e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20073e+04   -1.73520e+06    3.47253e+05   -1.38795e+06    1.46070e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11646e+02   -2.12240e+02   -8.92631e+01    3.67946e-06

           Step           Time
      237135000   474270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79269e+03    1.84105e+04    1.23591e+04    1.15094e+03   -2.87902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51537e+03    1.04112e+05    2.81467e+05   -1.71737e+04   -2.15360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19745e+04   -1.73187e+06    3.48230e+05   -1.38364e+06    1.47152e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12523e+02   -2.11607e+02    2.43159e+01    3.60869e-06

           Step           Time
      237140000   474280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41992e+03    1.86071e+04    1.24042e+04    1.07740e+03   -3.00345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56350e+03    1.03967e+05    2.82477e+05   -1.72115e+04   -2.15907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18640e+04   -1.73691e+06    3.45400e+05   -1.39151e+06    1.47279e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09983e+02   -2.12540e+02    5.57350e+01    3.53846e-06

           Step           Time
      237145000   474290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73425e+03    1.83309e+04    1.23193e+04    1.09142e+03   -2.96268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39141e+03    1.03990e+05    2.77813e+05   -1.71812e+04   -2.15206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20603e+04   -1.73447e+06    3.46553e+05   -1.38792e+06    1.47759e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11017e+02   -2.11792e+02   -1.94099e+02    3.43678e-06

           Step           Time
      237150000   474300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39010e+03    1.84955e+04    1.24044e+04    1.06245e+03   -2.89472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35400e+03    1.04226e+05    2.81367e+05   -1.72251e+04   -2.15771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20292e+04   -1.73650e+06    3.47107e+05   -1.38939e+06    1.47722e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11515e+02   -2.12874e+02   -3.34576e+01    3.44742e-06

           Step           Time
      237155000   474310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60135e+03    1.78224e+04    1.21812e+04    1.08969e+03   -3.00248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57636e+03    1.03683e+05    2.79199e+05   -1.71994e+04   -2.15419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18291e+04   -1.73641e+06    3.47029e+05   -1.38938e+06    1.47666e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11445e+02   -2.12241e+02   -7.68735e+01    3.71685e-06

           Step           Time
      237160000   474320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63530e+03    1.85014e+04    1.23158e+04    1.10710e+03   -3.03184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38760e+03    1.03641e+05    2.79510e+05   -1.71692e+04   -2.15387e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19895e+04   -1.73499e+06    3.46857e+05   -1.38813e+06    1.48324e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11291e+02   -2.11498e+02   -8.91993e+01    3.57332e-06

           Step           Time
      237165000   474330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47857e+03    1.82297e+04    1.23764e+04    1.08706e+03   -2.83630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43756e+03    1.04133e+05    2.80620e+05   -1.71914e+04   -2.15630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18701e+04   -1.73610e+06    3.44868e+05   -1.39123e+06    1.48598e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09506e+02   -2.12044e+02   -5.60460e+01    3.37091e-06

           Step           Time
      237170000   474340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56744e+03    1.82577e+04    1.21996e+04    1.02127e+03   -2.85310e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59785e+03    1.03841e+05    2.83310e+05   -1.71781e+04   -2.16083e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18878e+04   -1.73818e+06    3.47785e+05   -1.39040e+06    1.48744e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12124e+02   -2.11717e+02    2.38230e+01    3.58623e-06

           Step           Time
      237175000   474350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50546e+03    1.87082e+04    1.23057e+04    1.04566e+03   -2.90733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42818e+03    1.03884e+05    2.80417e+05   -1.71392e+04   -2.15534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19164e+04   -1.73517e+06    3.47900e+05   -1.38727e+06    1.49115e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12227e+02   -2.10760e+02   -1.00897e+02    3.69792e-06

           Step           Time
      237180000   474360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64896e+03    1.82191e+04    1.23445e+04    1.04609e+03   -2.91361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39710e+03    1.04120e+05    2.80318e+05   -1.71839e+04   -2.15466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20368e+04   -1.73462e+06    3.46940e+05   -1.38768e+06    1.49416e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11366e+02   -2.11857e+02   -5.98115e+01    3.47008e-06

           Step           Time
      237185000   474370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36042e+03    1.83856e+04    1.23361e+04    1.08372e+03   -2.84128e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54463e+03    1.04041e+05    2.81377e+05   -1.72240e+04   -2.15538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20773e+04   -1.73424e+06    3.48368e+05   -1.38587e+06    1.49706e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12647e+02   -2.12848e+02    7.50164e+01    3.57303e-06

           Step           Time
      237190000   474380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57044e+03    1.82280e+04    1.23915e+04    1.05684e+03   -2.85817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59982e+03    1.03597e+05    2.80643e+05   -1.72201e+04   -2.15752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21685e+04   -1.73735e+06    3.46684e+05   -1.39066e+06    1.50084e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11135e+02   -2.12750e+02   -1.21522e+01    3.48004e-06

           Step           Time
      237195000   474390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35576e+03    1.86827e+04    1.23731e+04    1.14328e+03   -2.98541e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55987e+03    1.04037e+05    2.81434e+05   -1.72032e+04   -2.15608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18906e+04   -1.73479e+06    3.48254e+05   -1.38654e+06    1.50595e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12545e+02   -2.12334e+02    6.45100e+01    3.64078e-06

           Step           Time
      237200000   474400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40372e+03    1.85549e+04    1.23454e+04    1.03472e+03   -3.00112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55964e+03    1.04173e+05    2.79787e+05   -1.71933e+04   -2.15476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20282e+04   -1.73507e+06    3.46025e+05   -1.38904e+06    1.51165e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10544e+02   -2.12090e+02   -4.34865e+01    3.46213e-06

           Step           Time
      237205000   474410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32369e+03    1.79732e+04    1.23975e+04    1.11211e+03   -2.95757e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63884e+03    1.03903e+05    2.80572e+05   -1.72033e+04   -2.15599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20492e+04   -1.73618e+06    3.46359e+05   -1.38982e+06    1.51069e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10844e+02   -2.12338e+02    1.20239e+01    3.69999e-06

           Step           Time
      237210000   474420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48708e+03    1.84972e+04    1.21714e+04    1.14494e+03   -2.92866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49554e+03    1.04517e+05    2.80404e+05   -1.72136e+04   -2.15571e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19824e+04   -1.73515e+06    3.47535e+05   -1.38762e+06    1.51521e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11899e+02   -2.12591e+02   -8.64385e+00    3.72692e-06

           Step           Time
      237215000   474430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69924e+03    1.83059e+04    1.25290e+04    1.06183e+03   -2.84867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55087e+03    1.04097e+05    2.79735e+05   -1.71828e+04   -2.15434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18232e+04   -1.73457e+06    3.45577e+05   -1.38900e+06    1.51968e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10142e+02   -2.11832e+02   -3.66036e+01    3.55088e-06

           Step           Time
      237220000   474440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50188e+03    1.82299e+04    1.23010e+04    1.21945e+03   -2.85557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54515e+03    1.04094e+05    2.79240e+05   -1.71766e+04   -2.15262e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20343e+04   -1.73348e+06    3.48496e+05   -1.38499e+06    1.52028e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12762e+02   -2.11679e+02   -5.60657e+01    3.58749e-06

           Step           Time
      237225000   474450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67031e+03    1.82929e+04    1.24374e+04    1.10890e+03   -2.93000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44170e+03    1.03768e+05    2.81476e+05   -1.71958e+04   -2.15711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20758e+04   -1.73596e+06    3.47822e+05   -1.38814e+06    1.52059e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12156e+02   -2.12153e+02    3.35864e+01    3.59101e-06

           Step           Time
      237230000   474460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60447e+03    1.84135e+04    1.23618e+04    1.01567e+03   -2.97444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62765e+03    1.03804e+05    2.80472e+05   -1.71951e+04   -2.15564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20413e+04   -1.73547e+06    3.46480e+05   -1.38899e+06    1.52936e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10952e+02   -2.12134e+02    6.67609e+01    3.65204e-06

           Step           Time
      237235000   474470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77400e+03    1.81590e+04    1.22697e+04    1.06722e+03   -2.84979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49607e+03    1.03999e+05    2.81636e+05   -1.72404e+04   -2.15716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18793e+04   -1.73597e+06    3.45001e+05   -1.39097e+06    1.53570e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09625e+02   -2.13253e+02    3.59675e+01    3.60822e-06

           Step           Time
      237240000   474480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52454e+03    1.83052e+04    1.25247e+04    1.04126e+03   -2.90584e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41400e+03    1.04083e+05    2.79713e+05   -1.71476e+04   -2.15283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19469e+04   -1.73333e+06    3.46068e+05   -1.38726e+06    1.54078e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10583e+02   -2.10965e+02   -8.75552e+01    3.69185e-06

           Step           Time
      237245000   474490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49567e+03    1.81983e+04    1.24720e+04    1.06913e+03   -2.86495e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46281e+03    1.03446e+05    2.82416e+05   -1.72075e+04   -2.15747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21338e+04   -1.73585e+06    3.45087e+05   -1.39076e+06    1.54062e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09702e+02   -2.12441e+02    1.21322e+01    3.79038e-06

           Step           Time
      237250000   474500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46910e+03    1.84166e+04    1.24713e+04    1.06159e+03   -2.92697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51808e+03    1.04268e+05    2.79282e+05   -1.71608e+04   -2.15286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20983e+04   -1.73336e+06    3.46248e+05   -1.38711e+06    1.54655e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10744e+02   -2.11289e+02    1.77356e+01    3.72727e-06

           Step           Time
      237255000   474510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57119e+03    1.84323e+04    1.22412e+04    9.97299e+02   -2.94750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42794e+03    1.03831e+05    2.78317e+05   -1.71624e+04   -2.15456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20414e+04   -1.73681e+06    3.45311e+05   -1.39150e+06    1.54810e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09904e+02   -2.11330e+02   -1.98376e+02    3.54557e-06

           Step           Time
      237260000   474520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34465e+03    1.77513e+04    1.22753e+04    1.08895e+03   -2.81540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46945e+03    1.04353e+05    2.82402e+05   -1.71890e+04   -2.16069e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19132e+04   -1.73910e+06    3.45134e+05   -1.39396e+06    1.55104e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09744e+02   -2.11984e+02    5.33059e+00    3.52003e-06

           Step           Time
      237265000   474530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52332e+03    1.85293e+04    1.23795e+04    1.10985e+03   -2.89581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53113e+03    1.04078e+05    2.83140e+05   -1.72007e+04   -2.15895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19104e+04   -1.73584e+06    3.45983e+05   -1.38986e+06    1.55789e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10506e+02   -2.12273e+02    1.42173e+02    3.71335e-06

           Step           Time
      237270000   474540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39254e+03    1.83295e+04    1.23874e+04    9.97063e+02   -2.86944e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56070e+03    1.04128e+05    2.81418e+05   -1.72226e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18923e+04   -1.73605e+06    3.46905e+05   -1.38914e+06    1.55779e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11334e+02   -2.12812e+02    9.52888e+01    3.48795e-06

           Step           Time
      237275000   474550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23130e+03    1.83429e+04    1.23421e+04    1.08390e+03   -3.00484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66382e+03    1.03951e+05    2.79013e+05   -1.71923e+04   -2.15164e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20462e+04   -1.73317e+06    3.44397e+05   -1.38877e+06    1.56296e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09083e+02   -2.12065e+02    4.43186e+01    3.62174e-06

           Step           Time
      237280000   474560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56736e+03    1.83239e+04    1.23863e+04    1.12823e+03   -2.90458e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43707e+03    1.04135e+05    2.81969e+05   -1.71945e+04   -2.15702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18573e+04   -1.73531e+06    3.45225e+05   -1.39009e+06    1.56870e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09826e+02   -2.12121e+02    2.35026e+00    3.61928e-06

           Step           Time
      237285000   474570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57992e+03    1.83901e+04    1.21845e+04    1.11608e+03   -2.84188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47532e+03    1.03997e+05    2.82494e+05   -1.71791e+04   -2.15799e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21487e+04   -1.73562e+06    3.46296e+05   -1.38933e+06    1.57360e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10787e+02   -2.11741e+02    6.61111e+01    3.40834e-06

           Step           Time
      237290000   474580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48661e+03    1.82696e+04    1.24087e+04    1.06225e+03   -2.85758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45647e+03    1.04285e+05    2.79103e+05   -1.71513e+04   -2.15382e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18651e+04   -1.73489e+06    3.45531e+05   -1.38936e+06    1.57088e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10101e+02   -2.11056e+02   -1.20585e+02    3.66015e-06

           Step           Time
      237295000   474590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59309e+03    1.84321e+04    1.23395e+04    1.06806e+03   -2.90221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39766e+03    1.03874e+05    2.79472e+05   -1.72045e+04   -2.15415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18652e+04   -1.73522e+06    3.46765e+05   -1.38845e+06    1.57768e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11208e+02   -2.12366e+02   -9.97979e+01    3.54948e-06

           Step           Time
      237300000   474600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81936e+03    1.85051e+04    1.24434e+04    1.08261e+03   -2.91226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60891e+03    1.04565e+05    2.81921e+05   -1.71962e+04   -2.15489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20652e+04   -1.73198e+06    3.48148e+05   -1.38384e+06    1.58378e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12449e+02   -2.12162e+02    6.50367e+01    3.67383e-06

           Step           Time
      237305000   474610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82490e+03    1.81552e+04    1.23492e+04    1.06357e+03   -2.84982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41013e+03    1.04282e+05    2.78990e+05   -1.71605e+04   -2.15261e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21764e+04   -1.73337e+06    3.47327e+05   -1.38604e+06    1.58934e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11712e+02   -2.11283e+02   -1.14260e+02    3.67276e-06

           Step           Time
      237310000   474620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69957e+03    1.83849e+04    1.26014e+04    1.11931e+03   -2.93624e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46704e+03    1.03612e+05    2.79993e+05   -1.72083e+04   -2.15273e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21321e+04   -1.73287e+06    3.48280e+05   -1.38459e+06    1.59124e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12567e+02   -2.12460e+02    1.11719e+01    3.68949e-06

           Step           Time
      237315000   474630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42117e+03    1.78652e+04    1.23163e+04    1.11882e+03   -2.77774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56906e+03    1.04089e+05    2.80831e+05   -1.71829e+04   -2.15697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18743e+04   -1.73685e+06    3.48927e+05   -1.38792e+06    1.59390e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13149e+02   -2.11834e+02    1.39361e+01    3.54521e-06

           Step           Time
      237320000   474640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39364e+03    1.87052e+04    1.22048e+04    1.08141e+03   -2.73593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44436e+03    1.03802e+05    2.80859e+05   -1.71712e+04   -2.15653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19386e+04   -1.73601e+06    3.46941e+05   -1.38907e+06    1.59709e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11366e+02   -2.11545e+02    1.43927e+01    3.42039e-06

           Step           Time
      237325000   474650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67794e+03    1.86157e+04    1.23555e+04    1.06357e+03   -2.76968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46175e+03    1.03644e+05    2.79573e+05   -1.71667e+04   -2.15267e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23132e+04   -1.73290e+06    3.47435e+05   -1.38547e+06    1.60312e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11809e+02   -2.11435e+02   -2.87424e+01    3.72287e-06

           Step           Time
      237330000   474660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74468e+03    1.80245e+04    1.22869e+04    1.18462e+03   -2.76731e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43235e+03    1.03725e+05    2.79672e+05   -1.71758e+04   -2.15278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18594e+04   -1.73379e+06    3.45994e+05   -1.38780e+06    1.60436e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10516e+02   -2.11658e+02   -3.78240e+01    3.52148e-06

           Step           Time
      237335000   474670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34476e+03    1.81647e+04    1.22310e+04    1.09462e+03   -2.81948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51377e+03    1.03633e+05    2.82880e+05   -1.72522e+04   -2.15949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19574e+04   -1.73774e+06    3.46458e+05   -1.39128e+06    1.60559e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10932e+02   -2.13544e+02    9.90530e+01    3.56223e-06

           Step           Time
      237340000   474680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40743e+03    1.81598e+04    1.22335e+04    1.10218e+03   -2.80422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54918e+03    1.04001e+05    2.81038e+05   -1.71912e+04   -2.15623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19116e+04   -1.73582e+06    3.45935e+05   -1.38988e+06    1.60938e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10463e+02   -2.12039e+02    4.08794e+01    3.45857e-06

           Step           Time
      237345000   474690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69520e+03    1.83208e+04    1.22336e+04    1.05791e+03   -2.75680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39087e+03    1.03757e+05    2.80277e+05   -1.72225e+04   -2.15257e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19697e+04   -1.73285e+06    3.46342e+05   -1.38651e+06    1.61556e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10828e+02   -2.12810e+02    3.92993e+00    3.56013e-06

           Step           Time
      237350000   474700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43118e+03    1.87164e+04    1.22910e+04    1.07374e+03   -2.78495e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64893e+03    1.03603e+05    2.80433e+05   -1.71783e+04   -2.15455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20578e+04   -1.73426e+06    3.47155e+05   -1.38711e+06    1.61942e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11558e+02   -2.11721e+02    7.20284e+01    3.70145e-06

           Step           Time
      237355000   474710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45858e+03    1.82419e+04    1.25243e+04    1.07408e+03   -2.89078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51041e+03    1.03873e+05    2.83138e+05   -1.72037e+04   -2.15867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19648e+04   -1.73598e+06    3.48071e+05   -1.38791e+06    1.62195e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12380e+02   -2.12346e+02    3.89160e+01    3.65205e-06

           Step           Time
      237360000   474720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63043e+03    1.83321e+04    1.23266e+04    1.06887e+03   -2.82302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47413e+03    1.04360e+05    2.78740e+05   -1.72210e+04   -2.15604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18133e+04   -1.73734e+06    3.45220e+05   -1.39211e+06    1.62546e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09822e+02   -2.12774e+02   -7.93156e+01    3.53812e-06

           Step           Time
      237365000   474730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48685e+03    1.81790e+04    1.23046e+04    1.03048e+03   -2.89325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37694e+03    1.03932e+05    2.79785e+05   -1.72121e+04   -2.15649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18722e+04   -1.73763e+06    3.45091e+05   -1.39254e+06    1.62926e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09706e+02   -2.12554e+02   -9.60040e+01    3.53382e-06

           Step           Time
      237370000   474740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56120e+03    1.83017e+04    1.22934e+04    1.08718e+03   -2.80359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61569e+03    1.04284e+05    2.79985e+05   -1.72001e+04   -2.15605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20604e+04   -1.73587e+06    3.46904e+05   -1.38896e+06    1.63236e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11333e+02   -2.12257e+02    3.87059e+01    3.53060e-06

           Step           Time
      237375000   474750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63287e+03    1.80416e+04    1.24062e+04    1.07174e+03   -2.84335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53438e+03    1.03767e+05    2.82243e+05   -1.72450e+04   -2.15698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19411e+04   -1.73543e+06    3.48054e+05   -1.38737e+06    1.63189e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12365e+02   -2.13366e+02    1.51622e+02    3.63075e-06

           Step           Time
      237380000   474760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74008e+03    1.86684e+04    1.25059e+04    1.05507e+03   -2.99639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50751e+03    1.03654e+05    2.80216e+05   -1.71935e+04   -2.15499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19111e+04   -1.73492e+06    3.46029e+05   -1.38889e+06    1.63828e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10548e+02   -2.12095e+02   -2.76783e+01    3.63584e-06

           Step           Time
      237385000   474770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57039e+03    1.82004e+04    1.23318e+04    1.05320e+03   -2.92194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54399e+03    1.03376e+05    2.81705e+05   -1.72111e+04   -2.15624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20565e+04   -1.73554e+06    3.46056e+05   -1.38948e+06    1.63736e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10572e+02   -2.12529e+02    8.68254e+00    3.41118e-06

           Step           Time
      237390000   474780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36427e+03    1.84301e+04    1.25001e+04    1.06448e+03   -2.93743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65315e+03    1.03786e+05    2.80325e+05   -1.72213e+04   -2.15619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20476e+04   -1.73618e+06    3.44893e+05   -1.39128e+06    1.64075e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09528e+02   -2.12781e+02   -1.57554e+01    3.50629e-06

           Step           Time
      237395000   474790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59637e+03    1.81134e+04    1.24390e+04    1.10456e+03   -2.81303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50918e+03    1.03906e+05    2.78116e+05   -1.72194e+04   -2.15094e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21153e+04   -1.73307e+06    3.44900e+05   -1.38817e+06    1.64392e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09534e+02   -2.12733e+02   -6.53161e+01    3.47528e-06

           Step           Time
      237400000   474800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38409e+03    1.81707e+04    1.23779e+04    1.14564e+03   -2.88266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59877e+03    1.04030e+05    2.81071e+05   -1.72306e+04   -2.15554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20057e+04   -1.73487e+06    3.45911e+05   -1.38896e+06    1.64424e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10442e+02   -2.13010e+02    8.60077e+01    3.48602e-06

           Step           Time
      237405000   474810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66584e+03    1.81961e+04    1.22784e+04    1.10184e+03   -2.93540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47581e+03    1.03865e+05    2.79405e+05   -1.71969e+04   -2.15677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18913e+04   -1.73802e+06    3.46056e+05   -1.39196e+06    1.65112e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10572e+02   -2.12178e+02   -1.47491e+02    3.49970e-06

           Step           Time
      237410000   474820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50436e+03    1.84266e+04    1.22095e+04    1.12340e+03   -2.90978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56866e+03    1.03591e+05    2.81217e+05   -1.71606e+04   -2.15329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18874e+04   -1.73284e+06    3.48284e+05   -1.38455e+06    1.64570e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12572e+02   -2.11286e+02    8.80026e+00    3.53529e-06

           Step           Time
      237415000   474830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43581e+03    1.81324e+04    1.22645e+04    1.08087e+03   -2.86142e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42751e+03    1.03994e+05    2.79587e+05   -1.71786e+04   -2.15377e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21173e+04   -1.73477e+06    3.44650e+05   -1.39012e+06    1.65159e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09310e+02   -2.11729e+02   -9.45980e+01    3.52400e-06

           Step           Time
      237420000   474840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53592e+03    1.85802e+04    1.24834e+04    1.09081e+03   -2.89810e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46278e+03    1.03839e+05    2.78687e+05   -1.71531e+04   -2.15285e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19440e+04   -1.73427e+06    3.46172e+05   -1.38810e+06    1.65602e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10676e+02   -2.11101e+02   -1.99794e+02    3.41802e-06

           Step           Time
      237425000   474850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57511e+03    1.81393e+04    1.23325e+04    1.01862e+03   -2.91701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36581e+03    1.04285e+05    2.81419e+05   -1.72109e+04   -2.15713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21207e+04   -1.73600e+06    3.45267e+05   -1.39073e+06    1.65959e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09864e+02   -2.12525e+02    2.06922e+00    3.52293e-06

           Step           Time
      237430000   474860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56705e+03    1.80834e+04    1.22429e+04    1.09262e+03   -2.85170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50516e+03    1.03763e+05    2.80782e+05   -1.72468e+04   -2.15474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20792e+04   -1.73473e+06    3.46388e+05   -1.38834e+06    1.66108e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10870e+02   -2.13410e+02    4.45723e+01    3.65671e-06

           Step           Time
      237435000   474870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64048e+03    1.87186e+04    1.22490e+04    1.02885e+03   -2.81099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43303e+03    1.03761e+05    2.80915e+05   -1.72515e+04   -2.15659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18906e+04   -1.73602e+06    3.46106e+05   -1.38991e+06    1.66734e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10617e+02   -2.13526e+02    5.78500e+01    3.79588e-06

           Step           Time
      237440000   474880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40659e+03    1.88098e+04    1.22278e+04    1.07006e+03   -2.82621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54019e+03    1.03645e+05    2.80289e+05   -1.72036e+04   -2.15350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20502e+04   -1.73349e+06    3.44757e+05   -1.38873e+06    1.67366e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09406e+02   -2.12345e+02    4.58275e+01    3.54868e-06

           Step           Time
      237445000   474890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61813e+03    1.81124e+04    1.23725e+04    1.07233e+03   -2.79502e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45319e+03    1.03314e+05    2.81317e+05   -1.72050e+04   -2.15654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20704e+04   -1.73621e+06    3.47134e+05   -1.38907e+06    1.67275e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11539e+02   -2.12380e+02    2.35573e+01    3.47223e-06

           Step           Time
      237450000   474900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32134e+03    1.84959e+04    1.23721e+04    1.05333e+03   -2.90129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59811e+03    1.04204e+05    2.80183e+05   -1.72210e+04   -2.15599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20028e+04   -1.73588e+06    3.46117e+05   -1.38977e+06    1.68310e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10627e+02   -2.12774e+02    5.85357e+01    3.76936e-06

           Step           Time
      237455000   474910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80735e+03    1.84421e+04    1.25329e+04    1.06030e+03   -2.82357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46926e+03    1.03725e+05    2.78926e+05   -1.72016e+04   -2.15402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20006e+04   -1.73508e+06    3.48028e+05   -1.38705e+06    1.68216e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12342e+02   -2.12295e+02   -1.44816e+02    3.51734e-06

           Step           Time
      237460000   474920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47869e+03    1.78764e+04    1.22741e+04    1.08574e+03   -2.86993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48355e+03    1.03979e+05    2.80864e+05   -1.72352e+04   -2.15654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18742e+04   -1.73672e+06    3.46882e+05   -1.38984e+06    1.68158e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11313e+02   -2.13125e+02   -1.51423e+01    3.51160e-06

           Step           Time
      237465000   474930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37308e+03    1.84760e+04    1.23066e+04    1.00673e+03   -2.91468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54755e+03    1.04419e+05    2.78878e+05   -1.71889e+04   -2.15268e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19571e+04   -1.73382e+06    3.45497e+05   -1.38832e+06    1.69211e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10070e+02   -2.11982e+02   -3.15924e+01    3.71814e-06

           Step           Time
      237470000   474940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50486e+03    1.85485e+04    1.22372e+04    1.12558e+03   -2.84875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49491e+03    1.03788e+05    2.81926e+05   -1.72409e+04   -2.15859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19366e+04   -1.73712e+06    3.47307e+05   -1.38981e+06    1.69195e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11695e+02   -2.13264e+02    4.64003e+01    3.50131e-06

           Step           Time
      237475000   474950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30379e+03    1.83625e+04    1.24731e+04    1.08844e+03   -2.95047e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41673e+03    1.04134e+05    2.80433e+05   -1.71359e+04   -2.15413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19876e+04   -1.73402e+06    3.46145e+05   -1.38787e+06    1.69612e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10652e+02   -2.10679e+02   -8.87802e+01    3.73388e-06

           Step           Time
      237480000   474960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49706e+03    1.83567e+04    1.22928e+04    1.05744e+03   -2.80199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58205e+03    1.03692e+05    2.81310e+05   -1.72219e+04   -2.15596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21062e+04   -1.73509e+06    3.46130e+05   -1.38896e+06    1.69736e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10638e+02   -2.12796e+02    6.42760e+01    3.66723e-06

           Step           Time
      237485000   474970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58617e+03    1.79625e+04    1.21880e+04    1.06241e+03   -2.98309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62424e+03    1.04254e+05    2.82096e+05   -1.71962e+04   -2.15896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18844e+04   -1.73748e+06    3.45939e+05   -1.39154e+06    1.70089e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10467e+02   -2.12162e+02   -9.68877e+00    3.61404e-06

           Step           Time
      237490000   474980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99049e+03    1.82269e+04    1.24244e+04    1.06524e+03   -2.94042e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48852e+03    1.04421e+05    2.78264e+05   -1.72505e+04   -2.15394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19548e+04   -1.73529e+06    3.45966e+05   -1.38933e+06    1.70639e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10491e+02   -2.13501e+02   -8.72168e+01    3.40551e-06

           Step           Time
      237495000   474990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73853e+03    1.84429e+04    1.23650e+04    1.04931e+03   -2.92970e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43252e+03    1.03974e+05    2.79637e+05   -1.71726e+04   -2.15252e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21294e+04   -1.73286e+06    3.46347e+05   -1.38651e+06    1.70464e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10833e+02   -2.11580e+02   -2.37042e+01    3.60252e-06

           Step           Time
      237500000   475000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58436e+03    1.82790e+04    1.24778e+04    1.09143e+03   -2.95332e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41470e+03    1.04250e+05    2.80068e+05   -1.72110e+04   -2.15770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18795e+04   -1.73782e+06    3.43868e+05   -1.39396e+06    1.70939e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08608e+02   -2.12526e+02   -5.76008e+01    3.66238e-06

           Step           Time
      237505000   475010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70187e+03    1.85041e+04    1.22778e+04    1.07841e+03   -2.88319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55888e+03    1.04555e+05    2.82391e+05   -1.71954e+04   -2.15810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19011e+04   -1.73521e+06    3.48794e+05   -1.38642e+06    1.70730e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13029e+02   -2.12142e+02    9.18163e+01    3.85515e-06

           Step           Time
      237510000   475020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23896e+03    1.87976e+04    1.24875e+04    1.03288e+03   -2.87099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52159e+03    1.04210e+05    2.78925e+05   -1.71847e+04   -2.15331e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20366e+04   -1.73412e+06    3.46491e+05   -1.38763e+06    1.71360e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10962e+02   -2.11879e+02   -9.44556e+01    3.53189e-06

           Step           Time
      237515000   475030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42476e+03    1.84387e+04    1.21805e+04    1.15315e+03   -2.81090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62485e+03    1.04451e+05    2.81173e+05   -1.71828e+04   -2.15822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18082e+04   -1.73696e+06    3.45434e+05   -1.39152e+06    1.71518e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10013e+02   -2.11832e+02   -2.54011e+01    3.49289e-06

           Step           Time
      237520000   475040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57621e+03    1.80317e+04    1.24101e+04    1.09549e+03   -2.84862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63567e+03    1.04064e+05    2.83370e+05   -1.71964e+04   -2.15781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20074e+04   -1.73466e+06    3.45350e+05   -1.38931e+06    1.71918e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09938e+02   -2.12166e+02    1.43608e+02    3.61392e-06

           Step           Time
      237525000   475050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21684e+03    1.85687e+04    1.23266e+04    1.07611e+03   -2.88030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63403e+03    1.04643e+05    2.81342e+05   -1.71981e+04   -2.15847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20139e+04   -1.73673e+06    3.46873e+05   -1.38985e+06    1.72252e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11305e+02   -2.12209e+02    5.02266e+01    3.59065e-06

           Step           Time
      237530000   475060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59895e+03    1.83533e+04    1.22910e+04    1.10388e+03   -2.79082e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58441e+03    1.03784e+05    2.82408e+05   -1.71756e+04   -2.15866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18823e+04   -1.73662e+06    3.48514e+05   -1.38811e+06    1.72485e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12778e+02   -2.11655e+02    3.46212e+01    3.70181e-06

           Step           Time
      237535000   475070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60536e+03    1.77191e+04    1.21935e+04    1.11980e+03   -2.87265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60681e+03    1.04171e+05    2.82523e+05   -1.71993e+04   -2.15778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22040e+04   -1.73570e+06    3.46203e+05   -1.38950e+06    1.72528e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10704e+02   -2.12238e+02    3.13774e+01    3.39435e-06

           Step           Time
      237540000   475080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59967e+03    1.82806e+04    1.21777e+04    1.04688e+03   -2.91388e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62760e+03    1.04419e+05    2.80997e+05   -1.71969e+04   -2.15646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18559e+04   -1.73557e+06    3.48178e+05   -1.38739e+06    1.72840e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12477e+02   -2.12179e+02   -1.75285e+00    3.58758e-06

           Step           Time
      237545000   475090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42794e+03    1.83761e+04    1.22632e+04    1.08178e+03   -2.87699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60266e+03    1.04330e+05    2.80233e+05   -1.71898e+04   -2.15371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19714e+04   -1.73349e+06    3.45689e+05   -1.38780e+06    1.73338e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10242e+02   -2.12004e+02    9.43528e+00    3.57429e-06

           Step           Time
      237550000   475100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26433e+03    1.84964e+04    1.24947e+04    1.10139e+03   -2.78096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48078e+03    1.04617e+05    2.79373e+05   -1.71558e+04   -2.15288e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19656e+04   -1.73302e+06    3.47025e+05   -1.38599e+06    1.73390e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11442e+02   -2.11168e+02    1.72632e+01    3.65067e-06

           Step           Time
      237555000   475110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60258e+03    1.81193e+04    1.24160e+04    1.03519e+03   -2.76572e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38637e+03    1.03890e+05    2.78616e+05   -1.71927e+04   -2.15487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19092e+04   -1.73686e+06    3.47010e+05   -1.38985e+06    1.73691e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11428e+02   -2.12074e+02   -1.69523e+02    3.56641e-06

           Step           Time
      237560000   475120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62832e+03    1.80664e+04    1.23218e+04    9.78955e+02   -2.79400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42510e+03    1.04095e+05    2.81472e+05   -1.71695e+04   -2.15653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20173e+04   -1.73549e+06    3.43882e+05   -1.39160e+06    1.74024e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08620e+02   -2.11504e+02   -3.26565e+01    3.50217e-06

           Step           Time
      237565000   475130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65045e+03    1.85615e+04    1.24150e+04    1.15569e+03   -2.81614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42062e+03    1.04256e+05    2.80245e+05   -1.71962e+04   -2.15529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20448e+04   -1.73455e+06    3.46700e+05   -1.38785e+06    1.75175e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11150e+02   -2.12161e+02   -5.74268e+01    3.49237e-06

           Step           Time
      237570000   475140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59654e+03    1.81421e+04    1.24157e+04    1.01148e+03   -2.90640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40845e+03    1.04490e+05    2.84654e+05   -1.72159e+04   -2.16191e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17680e+04   -1.73754e+06    3.45588e+05   -1.39196e+06    1.75384e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10152e+02   -2.12647e+02    1.51062e+02    3.60664e-06

           Step           Time
      237575000   475150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62826e+03    1.78835e+04    1.25271e+04    1.08109e+03   -2.86588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46174e+03    1.03856e+05    2.84811e+05   -1.71857e+04   -2.16120e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19864e+04   -1.73702e+06    3.45475e+05   -1.39154e+06    1.75314e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10051e+02   -2.11903e+02    1.29062e+02    3.51486e-06

           Step           Time
      237580000   475160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51998e+03    1.83299e+04    1.24352e+04    1.17169e+03   -2.85325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49280e+03    1.03774e+05    2.80454e+05   -1.71749e+04   -2.15340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20600e+04   -1.73319e+06    3.45893e+05   -1.38730e+06    1.75905e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10425e+02   -2.11637e+02   -5.65293e+01    3.43897e-06

           Step           Time
      237585000   475170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77794e+03    1.81610e+04    1.23716e+04    1.12568e+03   -2.82834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45594e+03    1.03827e+05    2.81495e+05   -1.71551e+04   -2.15674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19127e+04   -1.73559e+06    3.46277e+05   -1.38932e+06    1.75926e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10770e+02   -2.11150e+02   -4.93302e+01    3.64632e-06

           Step           Time
      237590000   475180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27695e+03    1.81125e+04    1.22988e+04    1.09313e+03   -2.79233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53209e+03    1.04037e+05    2.79054e+05   -1.71816e+04   -2.15427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18990e+04   -1.73594e+06    3.45592e+05   -1.39035e+06    1.75961e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10156e+02   -2.11801e+02   -4.50384e+01    3.55658e-06

           Step           Time
      237595000   475190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58196e+03    1.80556e+04    1.23955e+04    1.13878e+03   -2.85471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50061e+03    1.04377e+05    2.82125e+05   -1.72154e+04   -2.15813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19588e+04   -1.73607e+06    3.47199e+05   -1.38887e+06    1.76480e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11598e+02   -2.12635e+02   -1.06615e+01    3.60660e-06

           Step           Time
      237600000   475200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43074e+03    1.84880e+04    1.23307e+04    1.15746e+03   -2.89092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52587e+03    1.04106e+05    2.80139e+05   -1.72149e+04   -2.15347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19564e+04   -1.73344e+06    3.46826e+05   -1.38661e+06    1.77259e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11263e+02   -2.12623e+02    5.96003e+01    3.54787e-06

           Step           Time
      237605000   475210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70997e+03    1.82361e+04    1.25076e+04    1.08638e+03   -2.93228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39960e+03    1.04225e+05    2.79929e+05   -1.71785e+04   -2.15525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19657e+04   -1.73530e+06    3.48345e+05   -1.38695e+06    1.77222e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12626e+02   -2.11725e+02   -7.59305e+01    3.81791e-06

           Step           Time
      237610000   475220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75523e+03    1.82860e+04    1.24403e+04    1.03157e+03   -2.93041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52606e+03    1.03983e+05    2.80096e+05   -1.71929e+04   -2.15427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19542e+04   -1.73432e+06    3.46585e+05   -1.38774e+06    1.78020e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11047e+02   -2.12080e+02   -3.07958e+01    3.63779e-06

           Step           Time
      237615000   475230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77557e+03    1.83453e+04    1.25880e+04    1.17600e+03   -2.98657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53394e+03    1.04399e+05    2.80156e+05   -1.71401e+04   -2.15302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20663e+04   -1.73211e+06    3.48681e+05   -1.38343e+06    1.77872e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12927e+02   -2.10782e+02   -3.81433e+01    3.71666e-06

           Step           Time
      237620000   475240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55353e+03    1.82563e+04    1.24156e+04    1.09219e+03   -2.84586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53642e+03    1.04457e+05    2.80557e+05   -1.71668e+04   -2.15476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19895e+04   -1.73391e+06    3.47460e+05   -1.38645e+06    1.78080e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11832e+02   -2.11438e+02    2.43176e+01    3.52677e-06

           Step           Time
      237625000   475250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43211e+03    1.83680e+04    1.23930e+04    1.10092e+03   -2.82678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55413e+03    1.04200e+05    2.80960e+05   -1.71860e+04   -2.15536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21881e+04   -1.73417e+06    3.46470e+05   -1.38770e+06    1.78444e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10943e+02   -2.11909e+02    1.66282e+01    3.59181e-06

           Step           Time
      237630000   475260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42905e+03    1.84289e+04    1.22018e+04    1.02925e+03   -2.82309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50187e+03    1.04075e+05    2.82336e+05   -1.71619e+04   -2.15794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20324e+04   -1.73589e+06    3.45079e+05   -1.39081e+06    1.78891e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09695e+02   -2.11317e+02    5.86142e+01    3.50337e-06

           Step           Time
      237635000   475270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72624e+03    1.83736e+04    1.25655e+04    1.07532e+03   -2.93075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50312e+03    1.03901e+05    2.78353e+05   -1.71766e+04   -2.15201e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20193e+04   -1.73360e+06    3.45127e+05   -1.38848e+06    1.79148e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09738e+02   -2.11679e+02   -1.56808e+02    3.58173e-06

           Step           Time
      237640000   475280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44856e+03    1.80963e+04    1.23268e+04    1.15285e+03   -2.88052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59410e+03    1.04559e+05    2.80912e+05   -1.72133e+04   -2.15374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18380e+04   -1.73290e+06    3.44860e+05   -1.38804e+06    1.79144e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09499e+02   -2.12583e+02    2.56062e+01    3.71573e-06

           Step           Time
      237645000   475290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68686e+03    1.82319e+04    1.21119e+04    1.02367e+03   -2.89607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48816e+03    1.04520e+05    2.81329e+05   -1.71964e+04   -2.15634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20221e+04   -1.73502e+06    3.47743e+05   -1.38728e+06    1.79774e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12086e+02   -2.12166e+02    7.77722e+00    3.38905e-06

           Step           Time
      237650000   475300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51764e+03    1.81725e+04    1.24167e+04    1.08533e+03   -2.83439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54351e+03    1.04127e+05    2.77941e+05   -1.71467e+04   -2.15328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20268e+04   -1.73544e+06    3.46160e+05   -1.38928e+06    1.80104e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10666e+02   -2.10944e+02   -1.62593e+02    3.39159e-06

           Step           Time
      237655000   475310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35275e+03    1.84696e+04    1.24439e+04    1.10267e+03   -2.89206e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49954e+03    1.04521e+05    2.81526e+05   -1.71729e+04   -2.15744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19987e+04   -1.73560e+06    3.48449e+05   -1.38715e+06    1.79739e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12719e+02   -2.11588e+02    7.57556e+01    3.62653e-06

           Step           Time
      237660000   475320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61242e+03    1.81827e+04    1.21596e+04    1.09064e+03   -2.91640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38640e+03    1.04033e+05    2.80928e+05   -1.71699e+04   -2.15703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20112e+04   -1.73671e+06    3.47774e+05   -1.38894e+06    1.80166e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12114e+02   -2.11515e+02   -1.17214e+02    3.47431e-06

           Step           Time
      237665000   475330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53663e+03    1.80746e+04    1.23614e+04    1.03586e+03   -3.00318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51876e+03    1.04703e+05    2.81678e+05   -1.72094e+04   -2.15883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19073e+04   -1.73723e+06    3.47588e+05   -1.38964e+06    1.80608e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11947e+02   -2.12487e+02    4.39586e+01    3.59834e-06

           Step           Time
      237670000   475340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49206e+03    1.83307e+04    1.22350e+04    1.08754e+03   -2.83755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50282e+03    1.04231e+05    2.80805e+05   -1.72072e+04   -2.15587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21185e+04   -1.73512e+06    3.46732e+05   -1.38839e+06    1.80718e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11178e+02   -2.12432e+02    3.72669e+01    3.51125e-06

           Step           Time
      237675000   475350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42993e+03    1.84210e+04    1.22281e+04    1.08077e+03   -2.87873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58101e+03    1.04570e+05    2.80278e+05   -1.72175e+04   -2.15665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18418e+04   -1.73632e+06    3.46040e+05   -1.39028e+06    1.80964e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10558e+02   -2.12687e+02    6.33616e+00    3.49424e-06

           Step           Time
      237680000   475360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74414e+03    1.82322e+04    1.23407e+04    1.10708e+03   -2.88604e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40423e+03    1.04170e+05    2.82675e+05   -1.72192e+04   -2.15838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21056e+04   -1.73570e+06    3.46727e+05   -1.38898e+06    1.81770e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11174e+02   -2.12730e+02    6.30012e+01    3.55340e-06

           Step           Time
      237685000   475370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71135e+03    1.79865e+04    1.24078e+04    1.06574e+03   -2.91643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36236e+03    1.04474e+05    2.77781e+05   -1.72031e+04   -2.15063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19988e+04   -1.73296e+06    3.45565e+05   -1.38739e+06    1.81818e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10132e+02   -2.12331e+02   -1.12512e+02    3.70145e-06

           Step           Time
      237690000   475380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38419e+03    1.80214e+04    1.23103e+04    1.07813e+03   -2.89604e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50958e+03    1.04100e+05    2.80522e+05   -1.71875e+04   -2.15654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20600e+04   -1.73664e+06    3.45735e+05   -1.39090e+06    1.81688e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10284e+02   -2.11947e+02    1.91569e+01    3.65308e-06

           Step           Time
      237695000   475390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44643e+03    1.84060e+04    1.24544e+04    1.09781e+03   -2.87863e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47136e+03    1.04287e+05    2.78924e+05   -1.72153e+04   -2.15373e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20522e+04   -1.73468e+06    3.46305e+05   -1.38838e+06    1.82046e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10795e+02   -2.12633e+02   -3.28769e+01    3.70393e-06

           Step           Time
      237700000   475400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75107e+03    1.85146e+04    1.22830e+04    1.19574e+03   -2.90013e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59017e+03    1.04457e+05    2.79522e+05   -1.72339e+04   -2.15187e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21203e+04   -1.73157e+06    3.47830e+05   -1.38374e+06    1.82732e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12164e+02   -2.13091e+02    6.30365e+00    3.54158e-06

           Step           Time
      237705000   475410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51392e+03    1.79409e+04    1.22594e+04    1.05232e+03   -2.93494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54803e+03    1.04063e+05    2.81106e+05   -1.71529e+04   -2.15653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18338e+04   -1.73630e+06    3.47281e+05   -1.38902e+06    1.82219e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11671e+02   -2.11096e+02   -6.87495e+00    3.73076e-06

           Step           Time
      237710000   475420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39388e+03    1.81034e+04    1.23191e+04    1.13080e+03   -2.90158e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65776e+03    1.04568e+05    2.79015e+05   -1.71852e+04   -2.15377e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21537e+04   -1.73452e+06    3.45541e+05   -1.38898e+06    1.83034e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10110e+02   -2.11891e+02   -8.61210e+00    3.46120e-06

           Step           Time
      237715000   475430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64871e+03    1.82904e+04    1.24331e+04    1.08270e+03   -2.94212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52532e+03    1.04185e+05    2.81826e+05   -1.71947e+04   -2.15609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21169e+04   -1.73412e+06    3.46884e+05   -1.38723e+06    1.83314e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11315e+02   -2.12125e+02    6.34491e+01    3.54575e-06

           Step           Time
      237720000   475440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41021e+03    1.83298e+04    1.23998e+04    1.06875e+03   -2.97496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47047e+03    1.04242e+05    2.81994e+05   -1.71986e+04   -2.15682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17198e+04   -1.73536e+06    3.45013e+05   -1.39035e+06    1.83832e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09636e+02   -2.12222e+02    1.69072e+01    3.35979e-06

           Step           Time
      237725000   475450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31426e+03    1.84131e+04    1.23230e+04    1.10286e+03   -2.96654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54938e+03    1.04099e+05    2.79150e+05   -1.71681e+04   -2.15149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21893e+04   -1.73248e+06    3.46358e+05   -1.38613e+06    1.83660e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10843e+02   -2.11471e+02    2.00962e+00    3.62419e-06

           Step           Time
      237730000   475460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50248e+03    1.77223e+04    1.23040e+04    1.18077e+03   -2.81646e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50068e+03    1.04630e+05    2.79344e+05   -1.72038e+04   -2.15358e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21431e+04   -1.73427e+06    3.45913e+05   -1.38836e+06    1.83748e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10444e+02   -2.12350e+02   -1.70026e+00    3.35058e-06

           Step           Time
      237735000   475470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33020e+03    1.85230e+04    1.24364e+04    1.10208e+03   -3.01895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35641e+03    1.04377e+05    2.81708e+05   -1.71744e+04   -2.15764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19452e+04   -1.73606e+06    3.46800e+05   -1.38926e+06    1.84752e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11239e+02   -2.11624e+02   -8.31411e+00    3.45292e-06

           Step           Time
      237740000   475480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55318e+03    1.81248e+04    1.23704e+04    1.12053e+03   -2.99235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51380e+03    1.03927e+05    2.82184e+05   -1.71698e+04   -2.15518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20332e+04   -1.73352e+06    3.46208e+05   -1.38731e+06    1.84805e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10708e+02   -2.11511e+02    8.95475e+01    3.59510e-06

           Step           Time
      237745000   475490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25883e+03    1.80891e+04    1.23203e+04    1.03448e+03   -2.98684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47945e+03    1.04527e+05    2.81463e+05   -1.71726e+04   -2.15598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20465e+04   -1.73492e+06    3.46015e+05   -1.38891e+06    1.84425e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10535e+02   -2.11581e+02    3.86461e+01    3.46973e-06

           Step           Time
      237750000   475500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39369e+03    1.83337e+04    1.23810e+04    1.05261e+03   -2.84782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60356e+03    1.04233e+05    2.80210e+05   -1.71673e+04   -2.15549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19467e+04   -1.73535e+06    3.45385e+05   -1.38997e+06    1.85400e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09970e+02   -2.11450e+02   -5.99205e+01    3.57657e-06

           Step           Time
      237755000   475510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56658e+03    1.87202e+04    1.22796e+04    1.01300e+03   -2.93362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42311e+03    1.04188e+05    2.82667e+05   -1.72134e+04   -2.15854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20051e+04   -1.73582e+06    3.46054e+05   -1.38977e+06    1.85560e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10570e+02   -2.12585e+02    5.77892e+01    3.43561e-06

           Step           Time
      237760000   475520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49746e+03    1.82289e+04    1.23390e+04    1.08031e+03   -2.84866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46016e+03    1.04437e+05    2.81292e+05   -1.72129e+04   -2.15858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19741e+04   -1.73734e+06    3.49030e+05   -1.38831e+06    1.85340e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13241e+02   -2.12573e+02    4.42482e+01    3.69336e-06

           Step           Time
      237765000   475530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54116e+03    1.81807e+04    1.22948e+04    9.87205e+02   -2.93852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50706e+03    1.04215e+05    2.80201e+05   -1.72200e+04   -2.15670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19131e+04   -1.73701e+06    3.47165e+05   -1.38985e+06    1.85768e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11567e+02   -2.12748e+02    1.53978e+01    3.54456e-06

           Step           Time
      237770000   475540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80095e+03    1.83856e+04    1.22766e+04    1.08413e+03   -2.75376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54405e+03    1.03978e+05    2.79941e+05   -1.71330e+04   -2.15149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20341e+04   -1.73133e+06    3.47945e+05   -1.38338e+06    1.86074e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12267e+02   -2.10606e+02    9.53668e+00    3.52630e-06

           Step           Time
      237775000   475550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76745e+03    1.80812e+04    1.24113e+04    1.11518e+03   -2.89621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44888e+03    1.04095e+05    2.81440e+05   -1.72169e+04   -2.15746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19746e+04   -1.73624e+06    3.46873e+05   -1.38936e+06    1.86529e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11305e+02   -2.12673e+02   -2.21006e+01    3.48098e-06

           Step           Time
      237780000   475560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33903e+03    1.84562e+04    1.24037e+04    1.09461e+03   -2.94999e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59598e+03    1.04207e+05    2.80803e+05   -1.71538e+04   -2.15677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21309e+04   -1.73584e+06    3.46701e+05   -1.38914e+06    1.86974e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11151e+02   -2.11118e+02    1.67112e+01    3.50899e-06

           Step           Time
      237785000   475570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47571e+03    1.77745e+04    1.22870e+04    1.08850e+03   -2.82747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48908e+03    1.04155e+05    2.81181e+05   -1.72194e+04   -2.15526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18838e+04   -1.73498e+06    3.46092e+05   -1.38888e+06    1.87086e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10604e+02   -2.12734e+02    1.92388e+01    3.50056e-06

           Step           Time
      237790000   475580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57569e+03    1.80799e+04    1.25873e+04    1.05315e+03   -2.96379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59277e+03    1.04172e+05    2.79379e+05   -1.71808e+04   -2.15542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19971e+04   -1.73613e+06    3.46508e+05   -1.38962e+06    1.87085e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10978e+02   -2.11782e+02   -8.35843e+01    3.54768e-06

           Step           Time
      237795000   475590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42247e+03    1.78628e+04    1.24284e+04    1.07976e+03   -2.93111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55251e+03    1.04375e+05    2.83130e+05   -1.72032e+04   -2.15979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19461e+04   -1.73713e+06    3.47634e+05   -1.38949e+06    1.87595e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11988e+02   -2.12335e+02    1.25120e+02    3.48717e-06

           Step           Time
      237800000   475600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49834e+03    1.83418e+04    1.20704e+04    1.04250e+03   -2.89773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44862e+03    1.04166e+05    2.77938e+05   -1.71739e+04   -2.15222e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19981e+04   -1.73479e+06    3.45430e+05   -1.38936e+06    1.88276e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10010e+02   -2.11613e+02   -1.83132e+02    3.41292e-06

           Step           Time
      237805000   475610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61716e+03    1.84644e+04    1.23691e+04    9.84736e+02   -2.79799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59896e+03    1.03611e+05    2.81370e+05   -1.71720e+04   -2.15425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20896e+04   -1.73312e+06    3.46180e+05   -1.38694e+06    1.88520e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10683e+02   -2.11566e+02    4.42004e+01    3.40396e-06

           Step           Time
      237810000   475620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34476e+03    1.83733e+04    1.23379e+04    1.08338e+03   -2.88724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56099e+03    1.04102e+05    2.78556e+05   -1.72184e+04   -2.15619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19104e+04   -1.73803e+06    3.46040e+05   -1.39199e+06    1.88445e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10557e+02   -2.12709e+02   -1.09378e+02    3.41632e-06

           Step           Time
      237815000   475630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59357e+03    1.82578e+04    1.22209e+04    9.98399e+02   -2.84339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55589e+03    1.04697e+05    2.81320e+05   -1.71942e+04   -2.15819e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19741e+04   -1.73661e+06    3.49281e+05   -1.38732e+06    1.88569e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13466e+02   -2.12112e+02    4.16426e+01    3.37878e-06

Writing checkpoint, step 237817500 at Sat Dec  2 00:38:07 2023


           Step           Time
      237820000   475640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56295e+03    1.83228e+04    1.21772e+04    1.03256e+03   -2.81172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44878e+03    1.04115e+05    2.79700e+05   -1.71920e+04   -2.15607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20487e+04   -1.73667e+06    3.46590e+05   -1.39008e+06    1.88902e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11051e+02   -2.12058e+02   -6.97787e+01    3.46119e-06

           Step           Time
      237825000   475650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57167e+03    1.84331e+04    1.24167e+04    1.05785e+03   -2.86581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49211e+03    1.03543e+05    2.83748e+05   -1.72235e+04   -2.16016e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19427e+04   -1.73705e+06    3.48242e+05   -1.38881e+06    1.89140e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12533e+02   -2.12836e+02    1.29291e+02    3.57881e-06

           Step           Time
      237830000   475660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62568e+03    1.82039e+04    1.24177e+04    1.16265e+03   -2.98396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41495e+03    1.03638e+05    2.81889e+05   -1.71709e+04   -2.15467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19655e+04   -1.73350e+06    3.45973e+05   -1.38753e+06    1.89780e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10498e+02   -2.11540e+02    2.18561e+01    3.35266e-06

           Step           Time
      237835000   475670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68142e+03    1.83679e+04    1.26754e+04    1.14828e+03   -2.96508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54396e+03    1.04056e+05    2.81036e+05   -1.71329e+04   -2.15516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19938e+04   -1.73376e+06    3.46715e+05   -1.38704e+06    1.90155e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11163e+02   -2.10605e+02   -2.51067e+01    3.54903e-06

           Step           Time
      237840000   475680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63362e+03    1.82168e+04    1.24344e+04    1.10981e+03   -2.90483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50604e+03    1.03806e+05    2.80589e+05   -1.72160e+04   -2.15586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21336e+04   -1.73555e+06    3.47576e+05   -1.38798e+06    1.90294e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11936e+02   -2.12651e+02    9.45685e+00    3.38597e-06

           Step           Time
      237845000   475690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74468e+03    1.84454e+04    1.24075e+04    1.03024e+03   -2.90393e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63454e+03    1.04132e+05    2.79953e+05   -1.71944e+04   -2.15285e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18706e+04   -1.73273e+06    3.47447e+05   -1.38529e+06    1.90950e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11820e+02   -2.12117e+02   -3.67031e+01    3.42120e-06

           Step           Time
      237850000   475700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45441e+03    1.82134e+04    1.22764e+04    1.09181e+03   -2.83190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56245e+03    1.04444e+05    2.80441e+05   -1.71901e+04   -2.15389e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20055e+04   -1.73342e+06    3.45483e+05   -1.38794e+06    1.91189e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10058e+02   -2.12011e+02    6.75018e+01    3.51084e-06

           Step           Time
      237855000   475710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53974e+03    1.85330e+04    1.25171e+04    1.09252e+03   -2.94499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63188e+03    1.04500e+05    2.76332e+05   -1.71884e+04   -2.15042e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20390e+04   -1.73337e+06    3.48082e+05   -1.38528e+06    1.91841e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12390e+02   -2.11968e+02   -1.44677e+02    3.51690e-06

           Step           Time
      237860000   475720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61540e+03    1.80793e+04    1.23849e+04    1.05359e+03   -2.88905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41145e+03    1.03856e+05    2.82487e+05   -1.72106e+04   -2.15758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18964e+04   -1.73590e+06    3.45580e+05   -1.39032e+06    1.91722e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10144e+02   -2.12516e+02    3.51671e+01    3.50663e-06

           Step           Time
      237865000   475730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30054e+03    1.80769e+04    1.22964e+04    1.07268e+03   -2.77560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56825e+03    1.04324e+05    2.82357e+05   -1.71865e+04   -2.15671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18854e+04   -1.73479e+06    3.47892e+05   -1.38689e+06    1.91635e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12220e+02   -2.11921e+02    1.39395e+02    3.40474e-06

           Step           Time
      237870000   475740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60275e+03    1.88694e+04    1.23910e+04    1.10365e+03   -2.77827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57799e+03    1.04178e+05    2.80982e+05   -1.71705e+04   -2.15439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20600e+04   -1.73257e+06    3.48271e+05   -1.38430e+06    1.92271e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12560e+02   -2.11529e+02    2.72348e+01    3.49619e-06

           Step           Time
      237875000   475750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30103e+03    1.80427e+04    1.22101e+04    1.13742e+03   -2.88932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51915e+03    1.04103e+05    2.79333e+05   -1.71660e+04   -2.15340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21567e+04   -1.73465e+06    3.44617e+05   -1.39004e+06    1.92311e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09281e+02   -2.11419e+02   -8.48171e+01    3.51121e-06

           Step           Time
      237880000   475760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58731e+03    1.82083e+04    1.22393e+04    1.07185e+03   -2.83874e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66647e+03    1.04109e+05    2.79863e+05   -1.71838e+04   -2.15618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18401e+04   -1.73662e+06    3.47165e+05   -1.38946e+06    1.93052e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11567e+02   -2.11856e+02   -5.55538e+00    3.40238e-06

           Step           Time
      237885000   475770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31080e+03    1.84818e+04    1.24644e+04    1.11377e+03   -2.87924e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52485e+03    1.03782e+05    2.80583e+05   -1.71583e+04   -2.15442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20029e+04   -1.73420e+06    3.45991e+05   -1.38821e+06    1.93364e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10513e+02   -2.11229e+02    2.00507e+01    3.46424e-06

           Step           Time
      237890000   475780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55122e+03    1.79317e+04    1.24414e+04    9.76240e+02   -2.88559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52626e+03    1.04004e+05    2.80069e+05   -1.72065e+04   -2.15655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20813e+04   -1.73706e+06    3.46962e+05   -1.39010e+06    1.92995e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11385e+02   -2.12415e+02   -4.88978e+01    3.37135e-06

           Step           Time
      237895000   475790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75183e+03    1.81273e+04    1.26199e+04    1.10634e+03   -2.92692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62408e+03    1.04092e+05    2.80712e+05   -1.71640e+04   -2.15423e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20280e+04   -1.73326e+06    3.46326e+05   -1.38693e+06    1.93690e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10814e+02   -2.11369e+02    2.27293e+01    3.36535e-06

           Step           Time
      237900000   475800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42910e+03    1.81444e+04    1.24193e+04    1.05917e+03   -2.89131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47753e+03    1.04114e+05    2.79373e+05   -1.71624e+04   -2.15550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21003e+04   -1.73643e+06    3.45591e+05   -1.39084e+06    1.93819e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10155e+02   -2.11330e+02   -1.32316e+02    3.51255e-06

           Step           Time
      237905000   475810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58740e+03    1.82126e+04    1.24361e+04    1.07695e+03   -2.93419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51377e+03    1.04111e+05    2.80628e+05   -1.71577e+04   -2.15459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21139e+04   -1.73400e+06    3.45904e+05   -1.38809e+06    1.94048e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10435e+02   -2.11214e+02   -4.97123e+01    3.42796e-06

           Step           Time
      237910000   475820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43634e+03    1.83446e+04    1.22092e+04    1.06901e+03   -2.82277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48294e+03    1.04058e+05    2.82381e+05   -1.71814e+04   -2.15851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20343e+04   -1.73650e+06    3.44511e+05   -1.39199e+06    1.94825e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09185e+02   -2.11796e+02    2.46008e+01    3.28938e-06

           Step           Time
      237915000   475830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49315e+03    1.82557e+04    1.23186e+04    1.10255e+03   -2.88346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46827e+03    1.04380e+05    2.80879e+05   -1.71609e+04   -2.15503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20446e+04   -1.73414e+06    3.45616e+05   -1.38852e+06    1.95042e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10177e+02   -2.11293e+02   -8.21097e+00    3.35444e-06

           Step           Time
      237920000   475840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34769e+03    1.79490e+04    1.23180e+04    1.06856e+03   -2.93635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52550e+03    1.04218e+05    2.83094e+05   -1.72124e+04   -2.16057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18384e+04   -1.73836e+06    3.47577e+05   -1.39078e+06    1.94741e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11937e+02   -2.12561e+02    7.27714e+01    3.34889e-06

           Step           Time
      237925000   475850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51518e+03    1.83427e+04    1.24932e+04    1.10093e+03   -2.84292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55920e+03    1.04063e+05    2.80247e+05   -1.72267e+04   -2.15633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18588e+04   -1.73622e+06    3.45720e+05   -1.39050e+06    1.95478e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10270e+02   -2.12915e+02   -2.41400e+01    3.31926e-06

           Step           Time
      237930000   475860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66697e+03    1.82530e+04    1.24508e+04    1.02467e+03   -2.82817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46636e+03    1.03809e+05    2.83000e+05   -1.71814e+04   -2.15654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18850e+04   -1.73400e+06    3.45652e+05   -1.38835e+06    1.95464e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10209e+02   -2.11797e+02    2.52876e+01    3.49205e-06

           Step           Time
      237935000   475870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49720e+03    1.84827e+04    1.24005e+04    1.05987e+03   -2.78852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51150e+03    1.03699e+05    2.80726e+05   -1.71831e+04   -2.15728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20003e+04   -1.73688e+06    3.46934e+05   -1.38994e+06    1.95459e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11360e+02   -2.11840e+02   -2.73644e+00    3.48865e-06

           Step           Time
      237940000   475880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42679e+03    1.82350e+04    1.26002e+04    9.87059e+02   -2.88174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50275e+03    1.03873e+05    2.78295e+05   -1.71824e+04   -2.15209e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19497e+04   -1.73429e+06    3.46959e+05   -1.38733e+06    1.95669e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11382e+02   -2.11821e+02   -6.30088e+01    3.40045e-06

           Step           Time
      237945000   475890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77918e+03    1.82052e+04    1.24543e+04    1.12892e+03   -2.79957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40010e+03    1.03599e+05    2.80336e+05   -1.71876e+04   -2.15475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21727e+04   -1.73466e+06    3.48750e+05   -1.38591e+06    1.95889e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12989e+02   -2.11950e+02   -7.08048e+01    3.54441e-06

           Step           Time
      237950000   475900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39367e+03    1.82886e+04    1.22963e+04    1.03784e+03   -2.79838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51489e+03    1.03720e+05    2.82343e+05   -1.71637e+04   -2.15692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20683e+04   -1.73522e+06    3.45820e+05   -1.38940e+06    1.96858e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10360e+02   -2.11361e+02    4.06623e+01    3.35316e-06

           Step           Time
      237955000   475910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65313e+03    1.85072e+04    1.24703e+04    1.06901e+03   -2.75537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43986e+03    1.03031e+05    2.80666e+05   -1.71822e+04   -2.15381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21257e+04   -1.73378e+06    3.46895e+05   -1.38689e+06    1.96716e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11325e+02   -2.11818e+02    2.04022e+01    3.39590e-06

           Step           Time
      237960000   475920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70315e+03    1.84694e+04    1.23705e+04    1.04230e+03   -2.77798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50523e+03    1.03431e+05    2.81779e+05   -1.71934e+04   -2.15376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21857e+04   -1.73225e+06    3.46419e+05   -1.38583e+06    1.97036e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10897e+02   -2.12092e+02    5.98729e+01    3.62042e-06

           Step           Time
      237965000   475930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54759e+03    1.87872e+04    1.22461e+04    1.03686e+03   -2.87097e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60145e+03    1.03469e+05    2.79812e+05   -1.71883e+04   -2.15441e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20125e+04   -1.73496e+06    3.46831e+05   -1.38813e+06    1.97152e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11267e+02   -2.11967e+02   -1.25294e+01    3.46947e-06

           Step           Time
      237970000   475940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30945e+03    1.83874e+04    1.24673e+04    1.16783e+03   -2.99396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73134e+03    1.03232e+05    2.79834e+05   -1.72180e+04   -2.15537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20225e+04   -1.73643e+06    3.45303e+05   -1.39113e+06    1.97399e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09896e+02   -2.12698e+02    6.10698e+01    3.48532e-06

           Step           Time
      237975000   475950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61838e+03    1.78759e+04    1.24795e+04    1.08175e+03   -2.84347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40558e+03    1.03406e+05    2.81176e+05   -1.72168e+04   -2.15730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21233e+04   -1.73719e+06    3.44302e+05   -1.39289e+06    1.97740e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08998e+02   -2.12671e+02   -7.42334e+01    3.49295e-06

           Step           Time
      237980000   475960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52657e+03    1.82535e+04    1.24633e+04    1.13739e+03   -2.89983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57681e+03    1.03495e+05    2.79358e+05   -1.71693e+04   -2.14977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18457e+04   -1.73119e+06    3.48384e+05   -1.38280e+06    1.97686e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12661e+02   -2.11500e+02    5.76543e+01    3.58333e-06

           Step           Time
      237985000   475970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84209e+03    1.82914e+04    1.25387e+04    1.13029e+03   -2.97006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45384e+03    1.03307e+05    2.81624e+05   -1.71974e+04   -2.15617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19877e+04   -1.73516e+06    3.47709e+05   -1.38745e+06    1.98085e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12055e+02   -2.12191e+02    3.52562e+00    3.48057e-06

           Step           Time
      237990000   475980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66785e+03    1.80760e+04    1.21782e+04    1.10802e+03   -2.84110e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52776e+03    1.03315e+05    2.80751e+05   -1.72011e+04   -2.15417e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21096e+04   -1.73448e+06    3.46641e+05   -1.38784e+06    1.98640e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11097e+02   -2.12282e+02    3.97743e+01    3.45511e-06

           Step           Time
      237995000   475990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63089e+03    1.82435e+04    1.23940e+04    1.14167e+03   -2.72853e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50101e+03    1.03360e+05    2.78879e+05   -1.71442e+04   -2.14971e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20384e+04   -1.73139e+06    3.47801e+05   -1.38359e+06    1.98908e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12138e+02   -2.10883e+02   -1.07549e+02    3.65520e-06

           Step           Time
      238000000   476000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47327e+03    1.80084e+04    1.22314e+04    1.14346e+03   -2.89138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58108e+03    1.03678e+05    2.80925e+05   -1.72491e+04   -2.16029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20903e+04   -1.74030e+06    3.47868e+05   -1.39243e+06    1.98779e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12198e+02   -2.13468e+02   -2.26563e+01    3.48749e-06

           Step           Time
      238005000   476010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56317e+03    1.81192e+04    1.24367e+04    1.05258e+03   -2.83572e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60553e+03    1.03855e+05    2.80327e+05   -1.72155e+04   -2.15490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19780e+04   -1.73501e+06    3.46316e+05   -1.38870e+06    1.99650e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10805e+02   -2.12638e+02    5.02320e+01    3.45776e-06

           Step           Time
      238010000   476020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51557e+03    1.82076e+04    1.22420e+04    1.05366e+03   -2.88810e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53491e+03    1.03399e+05    2.79510e+05   -1.71550e+04   -2.15268e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20654e+04   -1.73419e+06    3.45201e+05   -1.38899e+06    1.99466e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09805e+02   -2.11148e+02   -7.73050e+01    3.52495e-06

           Step           Time
      238015000   476030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39309e+03    1.82465e+04    1.24146e+04    1.00711e+03   -2.96602e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53787e+03    1.03934e+05    2.81833e+05   -1.71694e+04   -2.15500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20116e+04   -1.73375e+06    3.49745e+05   -1.38401e+06    1.99220e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13882e+02   -2.11501e+02    9.69822e+01    3.54735e-06

           Step           Time
      238020000   476040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50272e+03    1.83765e+04    1.25281e+04    9.86260e+02   -2.84008e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56829e+03    1.03895e+05    2.77906e+05   -1.71654e+04   -2.15187e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20571e+04   -1.73405e+06    3.46571e+05   -1.38748e+06    1.99939e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11034e+02   -2.11403e+02   -9.03647e+01    3.53496e-06

           Step           Time
      238025000   476050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57410e+03    1.80674e+04    1.24435e+04    1.07622e+03   -2.82709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47439e+03    1.03699e+05    2.82770e+05   -1.72006e+04   -2.15701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20039e+04   -1.73493e+06    3.46225e+05   -1.38871e+06    2.00325e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10724e+02   -2.12271e+02    2.78744e+01    3.52650e-06

           Step           Time
      238030000   476060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57733e+03    1.83873e+04    1.22927e+04    1.10598e+03   -2.85704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62358e+03    1.03821e+05    2.81738e+05   -1.71941e+04   -2.15644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20109e+04   -1.73494e+06    3.46212e+05   -1.38872e+06    2.00621e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10712e+02   -2.12110e+02    2.58889e+01    3.41420e-06

           Step           Time
      238035000   476070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28622e+03    1.84178e+04    1.24107e+04    1.04645e+03   -2.84243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49996e+03    1.04053e+05    2.81015e+05   -1.72102e+04   -2.15782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19178e+04   -1.73722e+06    3.46860e+05   -1.39036e+06    2.00618e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11293e+02   -2.12506e+02    1.46864e+01    3.49053e-06

           Step           Time
      238040000   476080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61886e+03    1.82853e+04    1.23183e+04    1.06095e+03   -2.82592e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42321e+03    1.03784e+05    2.82239e+05   -1.72074e+04   -2.15849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19694e+04   -1.73683e+06    3.45841e+05   -1.39099e+06    2.01066e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10379e+02   -2.12438e+02    4.38750e+01    3.57822e-06

           Step           Time
      238045000   476090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46580e+03    1.80913e+04    1.24563e+04    1.16136e+03   -2.95493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57634e+03    1.04320e+05    2.82097e+05   -1.72078e+04   -2.15536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18453e+04   -1.73351e+06    3.46755e+05   -1.38676e+06    2.01606e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11199e+02   -2.12447e+02    8.71678e+01    3.51544e-06

           Step           Time
      238050000   476100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30362e+03    1.80489e+04    1.23616e+04    1.08737e+03   -2.88061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63796e+03    1.04604e+05    2.78874e+05   -1.71823e+04   -2.15329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19675e+04   -1.73447e+06    3.46593e+05   -1.38787e+06    2.01630e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11054e+02   -2.11818e+02   -6.82884e+01    3.39284e-06

           Step           Time
      238055000   476110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50787e+03    1.82145e+04    1.22314e+04    1.12160e+03   -2.91734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51149e+03    1.03720e+05    2.79668e+05   -1.71778e+04   -2.15756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19605e+04   -1.73872e+06    3.47382e+05   -1.39133e+06    2.02094e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11762e+02   -2.11709e+02   -7.58904e+01    3.37313e-06

           Step           Time
      238060000   476120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59483e+03    1.81359e+04    1.23890e+04    1.06415e+03   -2.92659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61356e+03    1.03836e+05    2.83363e+05   -1.72100e+04   -2.15798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20119e+04   -1.73511e+06    3.46388e+05   -1.38872e+06    2.02220e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10870e+02   -2.12502e+02    1.59305e+02    3.74307e-06

           Step           Time
      238065000   476130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62934e+03    1.85390e+04    1.24699e+04    1.08865e+03   -2.99752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45353e+03    1.03895e+05    2.79000e+05   -1.71706e+04   -2.15052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21436e+04   -1.73147e+06    3.45519e+05   -1.38595e+06    2.02810e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10090e+02   -2.11530e+02   -8.13928e+01    3.54499e-06

           Step           Time
      238070000   476140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45462e+03    1.83384e+04    1.24061e+04    1.02753e+03   -2.89128e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49715e+03    1.03807e+05    2.80223e+05   -1.71569e+04   -2.15390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19796e+04   -1.73421e+06    3.46769e+05   -1.38744e+06    2.02419e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11212e+02   -2.11194e+02   -7.82192e+01    3.58332e-06

           Step           Time
      238075000   476150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44696e+03    1.85340e+04    1.23685e+04    1.01486e+03   -2.88619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47557e+03    1.04141e+05    2.81323e+05   -1.71957e+04   -2.15490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20413e+04   -1.73363e+06    3.47483e+05   -1.38615e+06    2.02841e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11852e+02   -2.12148e+02    4.97294e+00    3.56884e-06

           Step           Time
      238080000   476160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64028e+03    1.80719e+04    1.22360e+04    1.13206e+03   -2.88937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54867e+03    1.04285e+05    2.79137e+05   -1.71799e+04   -2.15277e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19150e+04   -1.73387e+06    3.46516e+05   -1.38736e+06    2.03402e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10985e+02   -2.11759e+02   -1.15206e+02    3.35536e-06

           Step           Time
      238085000   476170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46448e+03    1.81983e+04    1.23828e+04    1.11350e+03   -2.89565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48679e+03    1.04334e+05    2.81838e+05   -1.72388e+04   -2.16047e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19518e+04   -1.73884e+06    3.46354e+05   -1.39248e+06    2.04126e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10840e+02   -2.13213e+02    5.27989e+00    3.53731e-06

           Step           Time
      238090000   476180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40618e+03    1.83400e+04    1.24716e+04    1.08271e+03   -2.94965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60508e+03    1.03894e+05    2.80200e+05   -1.71353e+04   -2.15483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22613e+04   -1.73466e+06    3.47936e+05   -1.38672e+06    2.04244e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12259e+02   -2.10664e+02    7.80562e+00    3.47526e-06

           Step           Time
      238095000   476190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47399e+03    1.84621e+04    1.24163e+04    1.16081e+03   -2.93818e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47912e+03    1.04053e+05    2.81302e+05   -1.71864e+04   -2.15466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20211e+04   -1.73342e+06    3.47174e+05   -1.38624e+06    2.04864e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11576e+02   -2.11920e+02    6.37740e+01    3.54289e-06

           Step           Time
      238100000   476200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61583e+03    1.79884e+04    1.24217e+04    1.10325e+03   -2.92238e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61024e+03    1.04544e+05    2.80775e+05   -1.71633e+04   -2.15595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19793e+04   -1.73499e+06    3.46966e+05   -1.38803e+06    2.04752e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11389e+02   -2.11352e+02   -6.43944e+00    3.59812e-06

           Step           Time
      238105000   476210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45521e+03    1.81675e+04    1.23285e+04    1.12828e+03   -2.97169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64254e+03    1.04109e+05    2.80390e+05   -1.71861e+04   -2.15427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21676e+04   -1.73404e+06    3.46767e+05   -1.38727e+06    2.05026e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11210e+02   -2.11913e+02    7.32662e+01    3.49650e-06

           Step           Time
      238110000   476220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65275e+03    1.86344e+04    1.23417e+04    1.06241e+03   -2.96065e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42774e+03    1.03683e+05    2.80262e+05   -1.72041e+04   -2.15670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20544e+04   -1.73674e+06    3.47400e+05   -1.38934e+06    2.05831e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11778e+02   -2.12357e+02   -4.68666e+01    3.49351e-06

           Step           Time
      238115000   476230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69962e+03    1.80585e+04    1.22743e+04    1.10993e+03   -2.93718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46922e+03    1.04644e+05    2.79515e+05   -1.72256e+04   -2.15552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19746e+04   -1.73594e+06    3.47102e+05   -1.38883e+06    2.05889e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11511e+02   -2.12886e+02   -1.15338e+02    3.52691e-06

           Step           Time
      238120000   476240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50359e+03    1.81547e+04    1.21838e+04    1.06562e+03   -2.91258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51496e+03    1.04519e+05    2.81189e+05   -1.72165e+04   -2.15593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18777e+04   -1.73505e+06    3.47119e+05   -1.38794e+06    2.06231e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11526e+02   -2.12662e+02    3.82285e+01    3.55145e-06

           Step           Time
      238125000   476250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56640e+03    1.88517e+04    1.22404e+04    1.00860e+03   -2.84488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55537e+03    1.03893e+05    2.78586e+05   -1.71529e+04   -2.15272e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20504e+04   -1.73396e+06    3.46706e+05   -1.38726e+06    2.06842e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11155e+02   -2.11096e+02   -9.72644e+01    3.43110e-06

           Step           Time
      238130000   476260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55033e+03    1.81152e+04    1.23137e+04    1.16965e+03   -2.85281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51792e+03    1.04392e+05    2.82425e+05   -1.71914e+04   -2.15883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20417e+04   -1.73635e+06    3.45543e+05   -1.39081e+06    2.06916e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10112e+02   -2.12043e+02    5.61302e+01    3.36761e-06

           Step           Time
      238135000   476270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30276e+03    1.81841e+04    1.23207e+04    1.11116e+03   -2.95425e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63572e+03    1.04387e+05    2.82019e+05   -1.71820e+04   -2.15696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20809e+04   -1.73506e+06    3.46211e+05   -1.38884e+06    2.06908e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10711e+02   -2.11811e+02    2.34867e+01    3.46348e-06

           Step           Time
      238140000   476280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64756e+03    1.81183e+04    1.24113e+04    1.04748e+03   -2.90341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47289e+03    1.04359e+05    2.78180e+05   -1.71840e+04   -2.15138e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20511e+04   -1.73318e+06    3.46826e+05   -1.38635e+06    2.07291e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11263e+02   -2.11861e+02   -9.12237e+01    3.33181e-06

           Step           Time
      238145000   476290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41231e+03    1.84059e+04    1.22138e+04    1.02673e+03   -2.85225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52170e+03    1.04597e+05    2.80062e+05   -1.71571e+04   -2.15340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19457e+04   -1.73323e+06    3.48113e+05   -1.38512e+06    2.07124e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12418e+02   -2.11199e+02   -1.17661e+01    3.53082e-06

           Step           Time
      238150000   476300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63433e+03    1.84110e+04    1.21916e+04    1.16464e+03   -2.82998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60773e+03    1.04136e+05    2.79280e+05   -1.71981e+04   -2.15292e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19405e+04   -1.73358e+06    3.48052e+05   -1.38553e+06    2.06929e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12363e+02   -2.12209e+02   -2.13209e+01    3.64881e-06

           Step           Time
      238155000   476310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30384e+03    1.81963e+04    1.22491e+04    1.04785e+03   -2.88304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44091e+03    1.04524e+05    2.81535e+05   -1.72114e+04   -2.15714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19808e+04   -1.73596e+06    3.46455e+05   -1.38951e+06    2.07709e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10930e+02   -2.12536e+02    1.45391e+01    3.54417e-06

           Step           Time
      238160000   476320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31257e+03    1.81631e+04    1.24139e+04    1.06334e+03   -2.85026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57530e+03    1.04173e+05    2.82254e+05   -1.72226e+04   -2.15714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20413e+04   -1.73521e+06    3.47136e+05   -1.38807e+06    2.08036e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11541e+02   -2.12812e+02    1.63452e+02    3.48606e-06

           Step           Time
      238165000   476330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44706e+03    1.81923e+04    1.23796e+04    1.07856e+03   -2.95617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47260e+03    1.03712e+05    2.79166e+05   -1.71758e+04   -2.15323e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19193e+04   -1.73500e+06    3.47178e+05   -1.38782e+06    2.08458e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11579e+02   -2.11659e+02   -6.70931e+01    3.74986e-06

           Step           Time
      238170000   476340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77657e+03    1.85641e+04    1.21258e+04    1.07441e+03   -2.96658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51110e+03    1.04100e+05    2.80784e+05   -1.72103e+04   -2.15608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20779e+04   -1.73525e+06    3.48055e+05   -1.38719e+06    2.09119e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12366e+02   -2.12509e+02    1.91492e+01    3.43282e-06

           Step           Time
      238175000   476350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58104e+03    1.85798e+04    1.22341e+04    1.02490e+03   -2.99912e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50819e+03    1.03782e+05    2.80373e+05   -1.72146e+04   -2.15289e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22066e+04   -1.73282e+06    3.46417e+05   -1.38640e+06    2.09565e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10896e+02   -2.12616e+02   -2.29248e+00    3.54153e-06

           Step           Time
      238180000   476360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64127e+03    1.85027e+04    1.25260e+04    1.19982e+03   -2.82358e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65955e+03    1.03836e+05    2.81471e+05   -1.71716e+04   -2.15293e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20580e+04   -1.73103e+06    3.47873e+05   -1.38316e+06    2.09791e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12203e+02   -2.11556e+02    1.02580e+02    3.62479e-06

           Step           Time
      238185000   476370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35433e+03    1.82244e+04    1.21918e+04    1.07056e+03   -2.96251e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59631e+03    1.03891e+05    2.82463e+05   -1.72446e+04   -2.15798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18868e+04   -1.73651e+06    3.47177e+05   -1.38933e+06    2.09614e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11578e+02   -2.13357e+02    1.64518e+02    3.48725e-06

           Step           Time
      238190000   476380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44700e+03    1.81764e+04    1.23660e+04    1.05438e+03   -2.80153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67376e+03    1.04107e+05    2.79186e+05   -1.71730e+04   -2.15328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20598e+04   -1.73419e+06    3.47378e+05   -1.38681e+06    2.10254e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11758e+02   -2.11591e+02   -1.26586e+01    3.45019e-06

           Step           Time
      238195000   476390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23910e+03    1.81489e+04    1.23937e+04    1.03162e+03   -2.85057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61254e+03    1.04088e+05    2.79296e+05   -1.71759e+04   -2.15190e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20049e+04   -1.73312e+06    3.48885e+05   -1.38423e+06    2.09928e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13111e+02   -2.11661e+02    1.87719e+01    3.64950e-06

           Step           Time
      238200000   476400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36400e+03    1.82270e+04    1.24817e+04    1.05113e+03   -3.01482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53510e+03    1.04262e+05    2.81355e+05   -1.71566e+04   -2.15817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20844e+04   -1.73698e+06    3.46215e+05   -1.39076e+06    2.10936e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10714e+02   -2.11186e+02   -5.07036e+01    3.45831e-06

           Step           Time
      238205000   476410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38448e+03    1.81454e+04    1.23415e+04    1.05803e+03   -2.88453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51209e+03    1.03791e+05    2.81305e+05   -1.72561e+04   -2.15766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18760e+04   -1.73739e+06    3.44885e+05   -1.39250e+06    2.11451e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09521e+02   -2.13640e+02    5.58836e+01    3.50584e-06

           Step           Time
      238210000   476420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55294e+03    1.80689e+04    1.23176e+04    1.11394e+03   -2.85975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47069e+03    1.04216e+05    2.80362e+05   -1.72210e+04   -2.15773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21002e+04   -1.73760e+06    3.46569e+05   -1.39104e+06    2.11404e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11032e+02   -2.12774e+02   -6.62397e+01    3.46168e-06

           Step           Time
      238215000   476430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76225e+03    1.78891e+04    1.23135e+04    1.12781e+03   -2.81488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54391e+03    1.03545e+05    2.79507e+05   -1.71948e+04   -2.15158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21999e+04   -1.73271e+06    3.44356e+05   -1.38835e+06    2.12138e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09046e+02   -2.12128e+02   -2.87609e+01    3.56255e-06

           Step           Time
      238220000   476440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71669e+03    1.80603e+04    1.23546e+04    1.14883e+03   -2.88090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46065e+03    1.03937e+05    2.81798e+05   -1.72024e+04   -2.15551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21198e+04   -1.73400e+06    3.46872e+05   -1.38713e+06    2.11539e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11304e+02   -2.12314e+02    7.34901e+01    3.53389e-06

           Step           Time
      238225000   476450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73480e+03    1.83161e+04    1.22625e+04    1.11392e+03   -2.89375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46987e+03    1.03487e+05    2.81490e+05   -1.72042e+04   -2.15594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19495e+04   -1.73522e+06    3.48574e+05   -1.38664e+06    2.12190e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12832e+02   -2.12359e+02    6.73806e+01    3.56475e-06

           Step           Time
      238230000   476460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42777e+03    1.82432e+04    1.21651e+04    1.06666e+03   -2.81406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49717e+03    1.04377e+05    2.81232e+05   -1.71716e+04   -2.15557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19839e+04   -1.73456e+06    3.45707e+05   -1.38886e+06    2.12765e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10258e+02   -2.11556e+02    5.03391e+01    3.61947e-06

           Step           Time
      238235000   476470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41537e+03    1.82228e+04    1.22580e+04    1.09612e+03   -3.02314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52742e+03    1.04269e+05    2.81104e+05   -1.71735e+04   -2.15725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18935e+04   -1.73666e+06    3.48000e+05   -1.38866e+06    2.12752e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12317e+02   -2.11602e+02   -1.79893e+01    3.65104e-06

           Step           Time
      238240000   476480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71869e+03    1.82766e+04    1.23524e+04    1.03374e+03   -2.93549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51430e+03    1.04362e+05    2.81638e+05   -1.72021e+04   -2.15752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19860e+04   -1.73578e+06    3.48223e+05   -1.38755e+06    2.13124e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12517e+02   -2.12308e+02    2.34348e+01    3.46386e-06

           Step           Time
      238245000   476490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54020e+03    1.81533e+04    1.23170e+04    1.17958e+03   -2.87025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53795e+03    1.03935e+05    2.78048e+05   -1.71650e+04   -2.15074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19322e+04   -1.73314e+06    3.46872e+05   -1.38626e+06    2.13036e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11304e+02   -2.11394e+02   -7.07498e+01    3.56407e-06

           Step           Time
      238250000   476500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35485e+03    1.81364e+04    1.24372e+04    1.12560e+03   -2.79045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49672e+03    1.04052e+05    2.81395e+05   -1.71894e+04   -2.15687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21239e+04   -1.73573e+06    3.45717e+05   -1.39001e+06    2.13190e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10268e+02   -2.11994e+02    4.32482e+01    3.60185e-06

           Step           Time
      238255000   476510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74137e+03    1.81714e+04    1.22800e+04    1.13089e+03   -2.86043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40190e+03    1.03678e+05    2.80168e+05   -1.71802e+04   -2.15315e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20348e+04   -1.73358e+06    3.45080e+05   -1.38850e+06    2.13952e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09696e+02   -2.11767e+02   -3.45012e+01    3.68376e-06

           Step           Time
      238260000   476520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27567e+03    1.84923e+04    1.22983e+04    1.08019e+03   -2.89161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58199e+03    1.04045e+05    2.79420e+05   -1.72063e+04   -2.15279e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20394e+04   -1.73365e+06    3.47204e+05   -1.38645e+06    2.14011e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11602e+02   -2.12410e+02   -2.18536e+01    3.67304e-06

           Step           Time
      238265000   476530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55129e+03    1.86322e+04    1.23389e+04    1.11466e+03   -2.86802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59230e+03    1.03736e+05    2.85279e+05   -1.71980e+04   -2.16123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21295e+04   -1.73592e+06    3.46060e+05   -1.38986e+06    2.14794e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10575e+02   -2.12205e+02    2.11433e+02    3.38930e-06

           Step           Time
      238270000   476540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47602e+03    1.85071e+04    1.24124e+04    1.10038e+03   -2.92639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49697e+03    1.03803e+05    2.80859e+05   -1.72126e+04   -2.15396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19562e+04   -1.73349e+06    3.46437e+05   -1.38705e+06    2.14909e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10914e+02   -2.12566e+02    2.70124e+01    3.45119e-06

           Step           Time
      238275000   476550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46398e+03    1.83246e+04    1.22795e+04    1.08786e+03   -2.87799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51210e+03    1.04173e+05    2.81700e+05   -1.71629e+04   -2.15735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20589e+04   -1.73579e+06    3.46012e+05   -1.38978e+06    2.15321e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10532e+02   -2.11342e+02   -4.83016e+01    3.74061e-06

           Step           Time
      238280000   476560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84144e+03    1.85502e+04    1.22562e+04    1.09867e+03   -2.95599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65479e+03    1.03341e+05    2.80628e+05   -1.71713e+04   -2.15327e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20092e+04   -1.73302e+06    3.47294e+05   -1.38573e+06    2.15805e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11683e+02   -2.11549e+02    3.86534e+01    3.46341e-06

           Step           Time
      238285000   476570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78737e+03    1.82184e+04    1.23545e+04    1.03199e+03   -2.74815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62455e+03    1.03705e+05    2.80760e+05   -1.71675e+04   -2.15398e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20352e+04   -1.73338e+06    3.46580e+05   -1.38680e+06    2.15645e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11042e+02   -2.11454e+02   -2.49373e+01    3.86277e-06

           Step           Time
      238290000   476580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41151e+03    1.83131e+04    1.24353e+04    1.13365e+03   -2.96350e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55802e+03    1.03930e+05    2.80990e+05   -1.71688e+04   -2.15571e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19016e+04   -1.73517e+06    3.46336e+05   -1.38884e+06    2.15446e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10823e+02   -2.11487e+02   -2.11355e+01    3.51210e-06

           Step           Time
      238295000   476590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43706e+03    1.85237e+04    1.23117e+04    1.02294e+03   -2.86872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47893e+03    1.04251e+05    2.82714e+05   -1.72141e+04   -2.15810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22111e+04   -1.73523e+06    3.47066e+05   -1.38816e+06    2.15771e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11479e+02   -2.12603e+02    4.66165e+01    3.68596e-06

           Step           Time
      238300000   476600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65074e+03    1.79596e+04    1.23664e+04    1.09703e+03   -2.88249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46316e+03    1.03983e+05    2.80655e+05   -1.71896e+04   -2.15488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19625e+04   -1.73482e+06    3.46375e+05   -1.38844e+06    2.16034e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10858e+02   -2.11999e+02   -4.81532e+01    3.47471e-06

           Step           Time
      238305000   476610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46074e+03    1.82668e+04    1.21814e+04    1.07136e+03   -2.90446e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54174e+03    1.04008e+05    2.80386e+05   -1.71869e+04   -2.15408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19772e+04   -1.73428e+06    3.45366e+05   -1.38891e+06    2.16860e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09952e+02   -2.11932e+02    2.97701e+01    3.42086e-06

           Step           Time
      238310000   476620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55452e+03    1.84014e+04    1.22969e+04    1.07663e+03   -2.83579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59601e+03    1.03677e+05    2.81069e+05   -1.71780e+04   -2.15487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20912e+04   -1.73412e+06    3.46584e+05   -1.38754e+06    2.16731e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11046e+02   -2.11714e+02    7.37530e+01    3.71533e-06

           Step           Time
      238315000   476630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36346e+03    1.83236e+04    1.21805e+04    1.14870e+03   -2.72131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48591e+03    1.04147e+05    2.81599e+05   -1.72214e+04   -2.15734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19995e+04   -1.73603e+06    3.47798e+05   -1.38823e+06    2.17091e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12135e+02   -2.12783e+02    2.63320e+01    3.71323e-06

           Step           Time
      238320000   476640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76348e+03    1.87167e+04    1.23397e+04    1.13899e+03   -2.97905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49737e+03    1.03710e+05    2.78305e+05   -1.71560e+04   -2.14881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21041e+04   -1.73037e+06    3.46058e+05   -1.38431e+06    2.17978e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10574e+02   -2.11172e+02   -5.47751e+01    3.50156e-06

           Step           Time
      238325000   476650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51374e+03    1.85725e+04    1.22598e+04    1.10019e+03   -2.80357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53838e+03    1.04232e+05    2.78701e+05   -1.71979e+04   -2.15294e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18870e+04   -1.73414e+06    3.47000e+05   -1.38714e+06    2.17574e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11419e+02   -2.12202e+02   -6.24666e+01    3.83823e-06

           Step           Time
      238330000   476660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49380e+03    1.83313e+04    1.23003e+04    1.07658e+03   -2.76728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52799e+03    1.03734e+05    2.82438e+05   -1.72354e+04   -2.15875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19213e+04   -1.73693e+06    3.46842e+05   -1.39009e+06    2.17871e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11277e+02   -2.13129e+02    9.37037e+01    3.53504e-06

           Step           Time
      238335000   476670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43551e+03    1.82882e+04    1.23970e+04    1.04976e+03   -2.85534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62946e+03    1.03839e+05    2.81716e+05   -1.71483e+04   -2.15449e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22249e+04   -1.73292e+06    3.47779e+05   -1.38514e+06    2.18225e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12118e+02   -2.10982e+02    7.06196e+01    3.55740e-06

           Step           Time
      238340000   476680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44606e+03    1.85198e+04    1.24976e+04    1.00218e+03   -2.91917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57892e+03    1.03847e+05    2.80700e+05   -1.72264e+04   -2.15446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18082e+04   -1.73421e+06    3.46484e+05   -1.38772e+06    2.18565e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10956e+02   -2.12907e+02    1.19048e+02    3.47430e-06

           Step           Time
      238345000   476690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42108e+03    1.79480e+04    1.22185e+04    1.06258e+03   -2.85934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61128e+03    1.03862e+05    2.82342e+05   -1.72269e+04   -2.15912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20104e+04   -1.73773e+06    3.46155e+05   -1.39158e+06    2.18714e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10661e+02   -2.12919e+02    8.91265e+01    3.42084e-06

           Step           Time
      238350000   476700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39775e+03    1.82650e+04    1.21792e+04    1.12925e+03   -2.79690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47783e+03    1.04004e+05    2.80136e+05   -1.72290e+04   -2.15806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20836e+04   -1.73841e+06    3.45788e+05   -1.39262e+06    2.18902e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10331e+02   -2.12971e+02   -4.97607e+01    3.43038e-06

           Step           Time
      238355000   476710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50204e+03    1.85963e+04    1.23434e+04    1.01999e+03   -2.92837e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53888e+03    1.04082e+05    2.81672e+05   -1.71991e+04   -2.15684e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20967e+04   -1.73512e+06    3.47519e+05   -1.38760e+06    2.19348e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11885e+02   -2.12232e+02    5.54644e+01    3.41865e-06

           Step           Time
      238360000   476720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35388e+03    1.80273e+04    1.24974e+04    1.18788e+03   -2.94762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48442e+03    1.03983e+05    2.80349e+05   -1.71914e+04   -2.15490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19908e+04   -1.73517e+06    3.45494e+05   -1.38967e+06    2.19398e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10068e+02   -2.12042e+02    1.76705e+01    3.60247e-06

           Step           Time
      238365000   476730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66544e+03    1.83729e+04    1.21424e+04    1.05675e+03   -2.91491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52533e+03    1.03991e+05    2.79773e+05   -1.71941e+04   -2.15407e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19474e+04   -1.73471e+06    3.46863e+05   -1.38785e+06    2.19781e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11296e+02   -2.12110e+02    4.43406e+01    3.61770e-06

           Step           Time
      238370000   476740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65469e+03    1.84444e+04    1.23059e+04    1.13699e+03   -2.75848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48233e+03    1.03873e+05    2.83517e+05   -1.72036e+04   -2.15970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19665e+04   -1.73628e+06    3.48284e+05   -1.38800e+06    2.20282e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12571e+02   -2.12343e+02    8.22812e+01    3.56866e-06

           Step           Time
      238375000   476750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67505e+03    1.83826e+04    1.23607e+04    1.14035e+03   -2.73801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55826e+03    1.03609e+05    2.80651e+05   -1.71520e+04   -2.15500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20975e+04   -1.73442e+06    3.47440e+05   -1.38698e+06    2.20542e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11814e+02   -2.11073e+02   -3.38078e+01    3.57200e-06

           Step           Time
      238380000   476760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62412e+03    1.82307e+04    1.21809e+04    1.03536e+03   -2.73570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39283e+03    1.03797e+05    2.81843e+05   -1.71672e+04   -2.15677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18947e+04   -1.73567e+06    3.45436e+05   -1.39024e+06    2.20755e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10016e+02   -2.11447e+02   -7.55004e+01    3.81159e-06

           Step           Time
      238385000   476770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63943e+03    1.78976e+04    1.22271e+04    1.10754e+03   -2.80799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55853e+03    1.03761e+05    2.79784e+05   -1.71893e+04   -2.15663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20002e+04   -1.73765e+06    3.44931e+05   -1.39272e+06    2.21136e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09562e+02   -2.11993e+02   -9.18986e+01    3.56438e-06

           Step           Time
      238390000   476780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61558e+03    1.82752e+04    1.23224e+04    1.11965e+03   -2.92139e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54936e+03    1.04158e+05    2.81408e+05   -1.71641e+04   -2.15702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22683e+04   -1.73538e+06    3.46015e+05   -1.38937e+06    2.21562e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10535e+02   -2.11370e+02   -3.67526e+01    3.59932e-06

           Step           Time
      238395000   476790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62746e+03    1.82341e+04    1.23292e+04    1.07295e+03   -2.83028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49576e+03    1.03894e+05    2.81421e+05   -1.72124e+04   -2.15560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19477e+04   -1.73462e+06    3.46566e+05   -1.38806e+06    2.21762e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11030e+02   -2.12562e+02    7.10495e+01    3.75396e-06

           Step           Time
      238400000   476800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66774e+03    1.83618e+04    1.23985e+04    1.09043e+03   -2.98957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66068e+03    1.03617e+05    2.81286e+05   -1.71764e+04   -2.15510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19456e+04   -1.73424e+06    3.48303e+05   -1.38593e+06    2.21799e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12588e+02   -2.11673e+02    5.78993e+01    3.58720e-06

           Step           Time
      238405000   476810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60809e+03    1.85082e+04    1.24613e+04    1.10132e+03   -2.89119e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59465e+03    1.03766e+05    2.77525e+05   -1.71437e+04   -2.15030e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20683e+04   -1.73270e+06    3.48660e+05   -1.38404e+06    2.21795e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12909e+02   -2.10870e+02   -9.55913e+01    3.59545e-06

           Step           Time
      238410000   476820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66824e+03    1.80654e+04    1.24364e+04    1.09651e+03   -2.78862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41846e+03    1.03367e+05    2.81453e+05   -1.72352e+04   -2.15669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19657e+04   -1.73624e+06    3.46869e+05   -1.38937e+06    2.22256e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11301e+02   -2.13123e+02   -3.07166e+01    3.59855e-06

           Step           Time
      238415000   476830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24362e+03    1.83100e+04    1.22924e+04    1.14219e+03   -2.86811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59833e+03    1.03448e+05    2.83624e+05   -1.71947e+04   -2.15923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18941e+04   -1.73674e+06    3.45870e+05   -1.39087e+06    2.22931e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10405e+02   -2.12125e+02    1.11551e+02    3.65062e-06

           Step           Time
      238420000   476840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62884e+03    1.80387e+04    1.24014e+04    1.07423e+03   -2.85697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45494e+03    1.03814e+05    2.78692e+05   -1.71656e+04   -2.15192e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20098e+04   -1.73383e+06    3.48672e+05   -1.38516e+06    2.22931e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12920e+02   -2.11409e+02   -6.98368e+01    3.75460e-06

           Step           Time
      238425000   476850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20922e+03    1.85675e+04    1.21517e+04    1.10389e+03   -2.84372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46417e+03    1.04266e+05    2.80003e+05   -1.72013e+04   -2.15668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20573e+04   -1.73690e+06    3.48967e+05   -1.38794e+06    2.22794e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13185e+02   -2.12287e+02    4.19086e+01    3.70144e-06

           Step           Time
      238430000   476860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20536e+03    1.81581e+04    1.23355e+04    1.06527e+03   -2.90978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52766e+03    1.04208e+05    2.77526e+05   -1.71906e+04   -2.14975e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19405e+04   -1.73288e+06    3.46247e+05   -1.38664e+06    2.23250e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10743e+02   -2.12023e+02   -6.43085e+01    3.68009e-06

           Step           Time
      238435000   476870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38614e+03    1.79219e+04    1.25424e+04    1.13344e+03   -2.83268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70516e+03    1.04715e+05    2.80619e+05   -1.71341e+04   -2.15513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21813e+04   -1.73390e+06    3.45950e+05   -1.38795e+06    2.24148e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10477e+02   -2.10633e+02    3.87147e+01    3.65934e-06

           Step           Time
      238440000   476880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36637e+03    1.82937e+04    1.23808e+04    1.02741e+03   -2.87102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52939e+03    1.03853e+05    2.78395e+05   -1.71570e+04   -2.15040e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20237e+04   -1.73256e+06    3.44374e+05   -1.38819e+06    2.24054e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09062e+02   -2.11197e+02   -5.31508e+01    3.54223e-06

           Step           Time
      238445000   476890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39121e+03    1.83726e+04    1.21471e+04    1.09324e+03   -2.81176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59135e+03    1.04233e+05    2.82974e+05   -1.71839e+04   -2.15860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20974e+04   -1.73569e+06    3.46531e+05   -1.38916e+06    2.24561e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10998e+02   -2.11858e+02    7.85197e+01    3.45105e-06

           Step           Time
      238450000   476900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54384e+03    1.80476e+04    1.22254e+04    1.05575e+03   -2.80771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47899e+03    1.03597e+05    2.78892e+05   -1.71908e+04   -2.15485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20827e+04   -1.73692e+06    3.46862e+05   -1.39006e+06    2.24582e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11295e+02   -2.12029e+02   -3.28700e+01    3.68511e-06

           Step           Time
      238455000   476910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56788e+03    1.81857e+04    1.23287e+04    1.11347e+03   -2.83267e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44006e+03    1.04189e+05    2.82054e+05   -1.72214e+04   -2.15815e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18406e+04   -1.73648e+06    3.46403e+05   -1.39008e+06    2.25125e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10883e+02   -2.12783e+02    5.38418e+01    3.62199e-06

           Step           Time
      238460000   476920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45778e+03    1.85204e+04    1.23024e+04    1.07521e+03   -2.93419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58741e+03    1.04329e+05    2.81075e+05   -1.72077e+04   -2.15534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19919e+04   -1.73414e+06    3.47343e+05   -1.38680e+06    2.25119e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11727e+02   -2.12446e+02    6.98268e+01    3.52809e-06

           Step           Time
      238465000   476930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38154e+03    1.81949e+04    1.22425e+04    1.05872e+03   -2.83156e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57051e+03    1.04116e+05    2.80150e+05   -1.71742e+04   -2.15432e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19130e+04   -1.73470e+06    3.46539e+05   -1.38816e+06    2.25391e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11005e+02   -2.11620e+02   -3.28568e+01    3.58754e-06

           Step           Time
      238470000   476940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68835e+03    1.82561e+04    1.23502e+04    1.10758e+03   -2.90308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36615e+03    1.04375e+05    2.79395e+05   -1.71811e+04   -2.15085e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19743e+04   -1.73142e+06    3.47815e+05   -1.38361e+06    2.25661e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12151e+02   -2.11789e+02    1.48417e+01    3.79330e-06

           Step           Time
      238475000   476950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28971e+03    1.82884e+04    1.24016e+04    1.16106e+03   -2.82621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56497e+03    1.04052e+05    2.79605e+05   -1.71888e+04   -2.15452e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21585e+04   -1.73501e+06    3.46247e+05   -1.38876e+06    2.26325e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10743e+02   -2.11980e+02   -2.82230e+01    3.56295e-06

           Step           Time
      238480000   476960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67453e+03    1.83502e+04    1.23614e+04    9.42338e+02   -2.95279e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44271e+03    1.03654e+05    2.78961e+05   -1.71795e+04   -2.15257e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20150e+04   -1.73431e+06    3.46639e+05   -1.38767e+06    2.26291e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11095e+02   -2.11751e+02   -7.87817e+01    3.57388e-06

           Step           Time
      238485000   476970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57400e+03    1.83875e+04    1.24445e+04    1.12539e+03   -2.98942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40516e+03    1.04132e+05    2.80526e+05   -1.71744e+04   -2.15383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20933e+04   -1.73331e+06    3.45905e+05   -1.38740e+06    2.26646e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10436e+02   -2.11625e+02   -9.39864e+00    3.49806e-06

           Step           Time
      238490000   476980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65449e+03    1.82753e+04    1.24954e+04    1.09047e+03   -2.93142e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46265e+03    1.04360e+05    2.79105e+05   -1.71998e+04   -2.15226e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19901e+04   -1.73296e+06    3.45358e+05   -1.38760e+06    2.26796e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09945e+02   -2.12251e+02   -5.11372e+01    3.67227e-06

           Step           Time
      238495000   476990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25923e+03    1.83503e+04    1.23101e+04    1.16237e+03   -2.87293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56553e+03    1.04437e+05    2.81008e+05   -1.72210e+04   -2.15718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20752e+04   -1.73611e+06    3.45209e+05   -1.39090e+06    2.27080e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09811e+02   -2.12773e+02    5.23145e+01    3.47061e-06

           Step           Time
      238500000   477000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52701e+03    1.83863e+04    1.23366e+04    1.06115e+03   -2.78888e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38122e+03    1.04423e+05    2.81886e+05   -1.72292e+04   -2.15894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19390e+04   -1.73702e+06    3.47008e+05   -1.39001e+06    2.27408e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11426e+02   -2.12976e+02    1.67676e+01    3.52344e-06

           Step           Time
      238505000   477010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57093e+03    1.85373e+04    1.24623e+04    1.07670e+03   -2.83389e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44939e+03    1.04199e+05    2.84893e+05   -1.71796e+04   -2.16066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21657e+04   -1.73532e+06    3.46423e+05   -1.38890e+06    2.28142e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10901e+02   -2.11754e+02    1.93227e+02    3.41632e-06

           Step           Time
      238510000   477020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64371e+03    1.85723e+04    1.24036e+04    1.07707e+03   -3.02505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38755e+03    1.04011e+05    2.82441e+05   -1.72259e+04   -2.15822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19232e+04   -1.73601e+06    3.47594e+05   -1.38842e+06    2.27704e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11952e+02   -2.12893e+02    8.14003e+00    3.57784e-06

           Step           Time
      238515000   477030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75375e+03    1.82008e+04    1.23900e+04    1.13963e+03   -2.79234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51307e+03    1.04261e+05    2.77494e+05   -1.71605e+04   -2.15030e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20098e+04   -1.73249e+06    3.46059e+05   -1.38643e+06    2.28061e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10575e+02   -2.11282e+02   -1.03014e+02    3.45730e-06

           Step           Time
      238520000   477040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63849e+03    1.82991e+04    1.23840e+04    1.01241e+03   -2.80591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57613e+03    1.03630e+05    2.80262e+05   -1.71872e+04   -2.15408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18938e+04   -1.73437e+06    3.47137e+05   -1.38724e+06    2.28694e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11542e+02   -2.11939e+02    4.77330e+00    3.57648e-06

           Step           Time
      238525000   477050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60007e+03    1.82633e+04    1.23253e+04    1.09050e+03   -2.92075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40548e+03    1.04150e+05    2.79729e+05   -1.72026e+04   -2.15403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19770e+04   -1.73462e+06    3.47247e+05   -1.38737e+06    2.28820e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11641e+02   -2.12320e+02   -6.04205e+01    3.61232e-06

           Step           Time
      238530000   477060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71408e+03    1.83799e+04    1.24197e+04    1.03128e+03   -2.92955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46936e+03    1.04043e+05    2.81133e+05   -1.71955e+04   -2.15523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19157e+04   -1.73425e+06    3.47309e+05   -1.38694e+06    2.29502e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11696e+02   -2.12145e+02    5.94453e+01    3.57769e-06

           Step           Time
      238535000   477070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60299e+03    1.86081e+04    1.23888e+04    1.13163e+03   -2.81638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42521e+03    1.04112e+05    2.82850e+05   -1.71894e+04   -2.15797e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20503e+04   -1.73480e+06    3.46941e+05   -1.38786e+06    2.29738e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11366e+02   -2.11995e+02    9.75331e+01    3.79834e-06

           Step           Time
      238540000   477080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35908e+03    1.79821e+04    1.23611e+04    1.10204e+03   -2.81752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42049e+03    1.04110e+05    2.79949e+05   -1.72320e+04   -2.15732e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20339e+04   -1.73805e+06    3.46562e+05   -1.39149e+06    2.29656e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11026e+02   -2.13044e+02   -9.18033e+01    3.70296e-06

           Step           Time
      238545000   477090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56854e+03    1.80297e+04    1.23861e+04    1.10552e+03   -2.88463e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53049e+03    1.03993e+05    2.81290e+05   -1.72210e+04   -2.15647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20515e+04   -1.73562e+06    3.47505e+05   -1.38811e+06    2.30350e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11872e+02   -2.12774e+02    8.50007e+01    3.64075e-06

           Step           Time
      238550000   477100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60711e+03    1.78724e+04    1.22668e+04    1.08800e+03   -2.94603e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51086e+03    1.03955e+05    2.79143e+05   -1.71993e+04   -2.15409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21318e+04   -1.73567e+06    3.44700e+05   -1.39097e+06    2.30766e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09355e+02   -2.12238e+02   -1.00313e+02    3.52463e-06

Writing checkpoint, step 238554000 at Sat Dec  2 00:53:07 2023


           Step           Time
      238555000   477110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67689e+03    1.83513e+04    1.23333e+04    1.12365e+03   -2.82577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42986e+03    1.03959e+05    2.78598e+05   -1.71841e+04   -2.15207e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19203e+04   -1.73369e+06    3.46744e+05   -1.38694e+06    2.31304e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11189e+02   -2.11864e+02   -8.09010e+01    3.68777e-06

           Step           Time
      238560000   477120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44294e+03    1.85022e+04    1.24248e+04    1.05917e+03   -2.95303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52905e+03    1.04090e+05    2.79528e+05   -1.71969e+04   -2.15393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19698e+04   -1.73454e+06    3.47954e+05   -1.38658e+06    2.31576e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12275e+02   -2.12179e+02   -2.70541e+01    3.63795e-06

           Step           Time
      238565000   477130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29509e+03    1.82207e+04    1.22440e+04    1.01693e+03   -2.81146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49714e+03    1.04060e+05    2.81499e+05   -1.72258e+04   -2.15963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18315e+04   -1.73900e+06    3.45982e+05   -1.39302e+06    2.31608e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10505e+02   -2.12892e+02    5.23973e+01    3.48594e-06

           Step           Time
      238570000   477140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55599e+03    1.82932e+04    1.25084e+04    1.08713e+03   -2.96990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56562e+03    1.04308e+05    2.80373e+05   -1.71948e+04   -2.15611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19403e+04   -1.73565e+06    3.47048e+05   -1.38860e+06    2.32171e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11462e+02   -2.12126e+02   -1.60657e+01    3.58904e-06

           Step           Time
      238575000   477150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54314e+03    1.85331e+04    1.21745e+04    1.08784e+03   -2.86116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51623e+03    1.03943e+05    2.81944e+05   -1.71560e+04   -2.15643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21165e+04   -1.73459e+06    3.46226e+05   -1.38837e+06    2.32640e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10724e+02   -2.11172e+02    1.11714e+01    3.63653e-06

           Step           Time
      238580000   477160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65447e+03    1.87978e+04    1.23699e+04    1.07186e+03   -3.02265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58599e+03    1.04059e+05    2.80489e+05   -1.71903e+04   -2.15398e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18427e+04   -1.73332e+06    3.47839e+05   -1.38548e+06    2.33109e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12172e+02   -2.12017e+02    1.42305e+01    3.56841e-06

           Step           Time
      238585000   477170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56588e+03    1.83434e+04    1.21706e+04    1.11000e+03   -2.89822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42434e+03    1.04303e+05    2.80508e+05   -1.71982e+04   -2.15352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19758e+04   -1.73322e+06    3.45794e+05   -1.38742e+06    2.33329e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10337e+02   -2.12211e+02   -3.48266e+01    3.56858e-06

           Step           Time
      238590000   477180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74061e+03    1.79416e+04    1.24825e+04    9.98120e+02   -2.91424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48651e+03    1.03925e+05    2.80490e+05   -1.71883e+04   -2.15379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20417e+04   -1.73378e+06    3.47169e+05   -1.38661e+06    2.33426e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11571e+02   -2.11966e+02    3.34557e+01    3.49844e-06

           Step           Time
      238595000   477190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59061e+03    1.81011e+04    1.23622e+04    1.04122e+03   -2.83929e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45461e+03    1.04285e+05    2.76306e+05   -1.71102e+04   -2.14760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20745e+04   -1.73134e+06    3.46764e+05   -1.38457e+06    2.33551e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11207e+02   -2.10048e+02   -2.06705e+02    3.54183e-06

           Step           Time
      238600000   477200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36216e+03    1.84984e+04    1.24348e+04    1.07646e+03   -2.87484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55649e+03    1.03934e+05    2.79452e+05   -1.71682e+04   -2.15124e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21838e+04   -1.73178e+06    3.47489e+05   -1.38430e+06    2.33936e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11858e+02   -2.11471e+02    2.40349e-01    3.63513e-06

           Step           Time
      238605000   477210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46041e+03    1.80856e+04    1.24790e+04    1.14775e+03   -2.95749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56672e+03    1.04840e+05    2.79237e+05   -1.71957e+04   -2.15538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21840e+04   -1.73553e+06    3.47406e+05   -1.38812e+06    2.34254e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11783e+02   -2.12150e+02   -7.18694e+01    3.47148e-06

           Step           Time
      238610000   477220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75117e+03    1.81021e+04    1.23450e+04    1.10931e+03   -2.76067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40404e+03    1.04127e+05    2.81706e+05   -1.72026e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18671e+04   -1.73429e+06    3.45403e+05   -1.38889e+06    2.34954e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09986e+02   -2.12320e+02   -1.51477e+01    3.56464e-06

           Step           Time
      238615000   477230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50775e+03    1.81318e+04    1.22745e+04    1.03224e+03   -2.78503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57545e+03    1.03698e+05    2.81460e+05   -1.72158e+04   -2.15545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20997e+04   -1.73467e+06    3.46558e+05   -1.38812e+06    2.35126e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11022e+02   -2.12645e+02    9.01598e+01    3.49487e-06

           Step           Time
      238620000   477240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58726e+03    1.79561e+04    1.21951e+04    1.00709e+03   -2.79145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44333e+03    1.04353e+05    2.81519e+05   -1.71739e+04   -2.15455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20580e+04   -1.73340e+06    3.45917e+05   -1.38748e+06    2.35439e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10447e+02   -2.11612e+02   -1.08278e+01    3.68001e-06

           Step           Time
      238625000   477250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49057e+03    1.78785e+04    1.23227e+04    1.08608e+03   -2.89033e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55068e+03    1.04745e+05    2.80348e+05   -1.71714e+04   -2.15426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21992e+04   -1.73370e+06    3.45144e+05   -1.38856e+06    2.35190e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09753e+02   -2.11551e+02    4.06370e+00    3.68136e-06

           Step           Time
      238630000   477260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56323e+03    1.83381e+04    1.23173e+04    1.05214e+03   -2.93465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53869e+03    1.04211e+05    2.78923e+05   -1.71840e+04   -2.15273e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19550e+04   -1.73395e+06    3.45399e+05   -1.38855e+06    2.35922e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09983e+02   -2.11860e+02   -5.80896e+01    3.54414e-06

           Step           Time
      238635000   477270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44027e+03    1.80413e+04    1.22639e+04    1.13670e+03   -2.77968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50478e+03    1.04788e+05    2.83725e+05   -1.72010e+04   -2.16103e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17536e+04   -1.73735e+06    3.46288e+05   -1.39107e+06    2.35888e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10780e+02   -2.12281e+02    7.88968e+01    3.39440e-06

           Step           Time
      238640000   477280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59768e+03    1.82655e+04    1.24055e+04    1.11250e+03   -2.79948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47483e+03    1.04027e+05    2.77905e+05   -1.71383e+04   -2.15074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20024e+04   -1.73289e+06    3.47484e+05   -1.38540e+06    2.35834e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11853e+02   -2.10737e+02   -1.44217e+02    3.55670e-06

           Step           Time
      238645000   477290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51879e+03    1.83616e+04    1.25052e+04    1.10199e+03   -2.97854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46090e+03    1.04257e+05    2.80480e+05   -1.71799e+04   -2.15571e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21271e+04   -1.73506e+06    3.46879e+05   -1.38818e+06    2.36076e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11310e+02   -2.11761e+02   -8.44678e+00    3.51366e-06

           Step           Time
      238650000   477300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56680e+03    1.81866e+04    1.24143e+04    1.12747e+03   -2.82497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56767e+03    1.04263e+05    2.81497e+05   -1.72132e+04   -2.15673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20519e+04   -1.73509e+06    3.46551e+05   -1.38854e+06    2.36498e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11016e+02   -2.12580e+02    4.23067e+01    3.55516e-06

           Step           Time
      238655000   477310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59146e+03    1.83177e+04    1.22523e+04    1.03975e+03   -2.91141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50829e+03    1.03947e+05    2.78094e+05   -1.71904e+04   -2.15288e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19212e+04   -1.73531e+06    3.44216e+05   -1.39110e+06    2.37616e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08920e+02   -2.12020e+02   -1.22976e+02    3.52470e-06

           Step           Time
      238660000   477320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42835e+03    1.85190e+04    1.23984e+04    1.06979e+03   -2.82329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51117e+03    1.04230e+05    2.78343e+05   -1.71748e+04   -2.15139e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20241e+04   -1.73286e+06    3.44638e+05   -1.38822e+06    2.37792e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09299e+02   -2.11635e+02   -4.76348e+01    3.49365e-06

           Step           Time
      238665000   477330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61415e+03    1.80373e+04    1.23506e+04    1.06333e+03   -2.75407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39242e+03    1.04339e+05    2.78961e+05   -1.72062e+04   -2.15503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21536e+04   -1.73608e+06    3.46198e+05   -1.38988e+06    2.37606e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10699e+02   -2.12407e+02   -1.09274e+02    3.50872e-06

           Step           Time
      238670000   477340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58441e+03    1.82586e+04    1.22040e+04    1.09488e+03   -2.77979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62339e+03    1.04850e+05    2.78627e+05   -1.71666e+04   -2.15476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21820e+04   -1.73528e+06    3.47669e+05   -1.38761e+06    2.37955e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12019e+02   -2.11432e+02   -6.39239e+01    3.65708e-06

           Step           Time
      238675000   477350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52399e+03    1.82121e+04    1.22501e+04    1.09365e+03   -2.87775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41147e+03    1.04406e+05    2.81015e+05   -1.72132e+04   -2.15591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19975e+04   -1.73509e+06    3.46107e+05   -1.38898e+06    2.38219e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10618e+02   -2.12580e+02   -3.29208e+01    3.52774e-06

           Step           Time
      238680000   477360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51183e+03    1.81201e+04    1.22919e+04    1.06235e+03   -2.86737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51657e+03    1.04292e+05    2.81549e+05   -1.71803e+04   -2.15786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19997e+04   -1.73656e+06    3.45974e+05   -1.39059e+06    2.38921e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10498e+02   -2.11769e+02   -1.77532e+00    3.59786e-06

           Step           Time
      238685000   477370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46150e+03    1.84053e+04    1.22303e+04    1.12520e+03   -2.89395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54310e+03    1.04464e+05    2.80555e+05   -1.71934e+04   -2.15522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19306e+04   -1.73460e+06    3.48536e+05   -1.38606e+06    2.38896e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12798e+02   -2.12093e+02    2.99299e+01    3.54006e-06

           Step           Time
      238690000   477380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58659e+03    1.82321e+04    1.23655e+04    1.05873e+03   -2.88548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57403e+03    1.04861e+05    2.79826e+05   -1.71968e+04   -2.15351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19595e+04   -1.73313e+06    3.47040e+05   -1.38609e+06    2.39431e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11454e+02   -2.12177e+02    1.84896e+01    3.60493e-06

           Step           Time
      238695000   477390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28123e+03    1.80980e+04    1.22200e+04    1.08007e+03   -2.77672e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53205e+03    1.04461e+05    2.79647e+05   -1.71894e+04   -2.15432e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20524e+04   -1.73492e+06    3.45760e+05   -1.38916e+06    2.39730e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10306e+02   -2.11995e+02   -4.81297e+01    3.54768e-06

           Step           Time
      238700000   477400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61622e+03    1.86241e+04    1.22581e+04    1.01494e+03   -2.84671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58432e+03    1.04241e+05    2.79342e+05   -1.71917e+04   -2.15428e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20988e+04   -1.73453e+06    3.44516e+05   -1.39002e+06    2.40471e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09190e+02   -2.12051e+02   -7.68085e+01    3.56148e-06

           Step           Time
      238705000   477410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38634e+03    1.85087e+04    1.24306e+04    1.00267e+03   -2.81610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47171e+03    1.04510e+05    2.84753e+05   -1.71404e+04   -2.16060e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19204e+04   -1.73557e+06    3.47167e+05   -1.38840e+06    2.40655e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11569e+02   -2.10789e+02    1.19969e+02    3.56483e-06

           Step           Time
      238710000   477420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.22656e+03    1.85978e+04    1.22553e+04    1.10199e+03   -2.77499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59251e+03    1.04392e+05    2.83098e+05   -1.72206e+04   -2.16071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18272e+04   -1.73762e+06    3.47833e+05   -1.38978e+06    2.40642e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12167e+02   -2.12762e+02    1.00022e+02    3.71807e-06

           Step           Time
      238715000   477430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29865e+03    1.83977e+04    1.22258e+04    1.10100e+03   -2.86878e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49643e+03    1.04524e+05    2.79610e+05   -1.71832e+04   -2.15554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20747e+04   -1.73586e+06    3.47051e+05   -1.38881e+06    2.40912e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11465e+02   -2.11841e+02   -5.24363e+01    3.64138e-06

           Step           Time
      238720000   477440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.12827e+03    1.81543e+04    1.23143e+04    1.07132e+03   -2.93058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66997e+03    1.04940e+05    2.80627e+05   -1.71880e+04   -2.15793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19475e+04   -1.73720e+06    3.48621e+05   -1.38858e+06    2.41068e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12874e+02   -2.11959e+02    6.74525e+01    3.53032e-06

           Step           Time
      238725000   477450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56046e+03    1.82889e+04    1.21804e+04    1.09298e+03   -2.81424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43404e+03    1.04068e+05    2.79619e+05   -1.71888e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18950e+04   -1.73811e+06    3.46693e+05   -1.39141e+06    2.41599e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11144e+02   -2.11978e+02   -9.13571e+01    3.52787e-06

           Step           Time
      238730000   477460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43716e+03    1.84922e+04    1.23073e+04    1.12697e+03   -2.86270e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62005e+03    1.04312e+05    2.83066e+05   -1.71900e+04   -2.15915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20714e+04   -1.73577e+06    3.47255e+05   -1.38851e+06    2.42395e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11648e+02   -2.12010e+02    1.23888e+02    3.32097e-06

           Step           Time
      238735000   477470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46303e+03    1.81367e+04    1.22805e+04    9.82297e+02   -2.90995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48485e+03    1.04321e+05    2.80030e+05   -1.71813e+04   -2.15581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18905e+04   -1.73631e+06    3.45634e+05   -1.39068e+06    2.42335e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10193e+02   -2.11794e+02   -1.24668e+02    3.39462e-06

           Step           Time
      238740000   477480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49986e+03    1.82392e+04    1.21813e+04    1.07650e+03   -2.94258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45982e+03    1.04332e+05    2.80456e+05   -1.72044e+04   -2.15548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19229e+04   -1.73546e+06    3.46257e+05   -1.38921e+06    2.43041e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10752e+02   -2.12363e+02   -6.28922e+00    3.53035e-06

           Step           Time
      238745000   477490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47329e+03    1.82630e+04    1.21952e+04    1.05780e+03   -2.91386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43121e+03    1.04270e+05    2.82010e+05   -1.71425e+04   -2.15521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18863e+04   -1.73368e+06    3.45076e+05   -1.38860e+06    2.42926e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09692e+02   -2.10840e+02    5.67167e+01    3.66324e-06

           Step           Time
      238750000   477500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41839e+03    1.83524e+04    1.23650e+04    1.11518e+03   -2.87435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48718e+03    1.04565e+05    2.81878e+05   -1.72027e+04   -2.15826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20572e+04   -1.73609e+06    3.46358e+05   -1.38974e+06    2.43044e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10842e+02   -2.12321e+02    2.76095e+01    3.39148e-06

           Step           Time
      238755000   477510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43338e+03    1.84457e+04    1.23021e+04    1.13808e+03   -2.89410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59528e+03    1.03913e+05    2.79255e+05   -1.71856e+04   -2.15347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20528e+04   -1.73442e+06    3.45486e+05   -1.38893e+06    2.43592e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10060e+02   -2.11902e+02   -9.63350e+00    3.51258e-06

           Step           Time
      238760000   477520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65886e+03    1.81645e+04    1.24681e+04    1.09279e+03   -2.94159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47319e+03    1.03733e+05    2.79838e+05   -1.72263e+04   -2.15507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20186e+04   -1.73579e+06    3.45836e+05   -1.38995e+06    2.43908e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10375e+02   -2.12904e+02    2.16275e+01    3.60983e-06

           Step           Time
      238765000   477530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53187e+03    1.80780e+04    1.24100e+04    1.09631e+03   -2.91875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44317e+03    1.04356e+05    2.81194e+05   -1.71453e+04   -2.15533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20348e+04   -1.73425e+06    3.46550e+05   -1.38770e+06    2.44000e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11016e+02   -2.10909e+02   -5.46233e+01    3.48328e-06

           Step           Time
      238770000   477540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32851e+03    1.81581e+04    1.25574e+04    1.14638e+03   -2.85064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56612e+03    1.04437e+05    2.79826e+05   -1.71870e+04   -2.15561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19326e+04   -1.73570e+06    3.47415e+05   -1.38828e+06    2.44444e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11792e+02   -2.11935e+02   -8.19841e+00    3.52355e-06

           Step           Time
      238775000   477550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40277e+03    1.84616e+04    1.23729e+04    1.12691e+03   -2.83017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54900e+03    1.04429e+05    2.78868e+05   -1.71549e+04   -2.15321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18251e+04   -1.73416e+06    3.48391e+05   -1.38576e+06    2.44655e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12668e+02   -2.11146e+02   -1.30500e+02    3.64014e-06

           Step           Time
      238780000   477560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57944e+03    1.82079e+04    1.23237e+04    1.03175e+03   -2.83697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50564e+03    1.04260e+05    2.82301e+05   -1.71909e+04   -2.15859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19636e+04   -1.73644e+06    3.46072e+05   -1.39037e+06    2.45360e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10586e+02   -2.12030e+02    4.42562e+01    3.55055e-06

           Step           Time
      238785000   477570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67712e+03    1.85453e+04    1.24767e+04    1.09694e+03   -2.90047e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59238e+03    1.03897e+05    2.81286e+05   -1.72069e+04   -2.15380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19587e+04   -1.73238e+06    3.48274e+05   -1.38411e+06    2.45445e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12563e+02   -2.12426e+02    3.93566e+01    3.49178e-06

           Step           Time
      238790000   477580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67840e+03    1.79438e+04    1.24052e+04    1.02615e+03   -2.82390e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50701e+03    1.03682e+05    2.81777e+05   -1.71853e+04   -2.15658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22382e+04   -1.73533e+06    3.46182e+05   -1.38915e+06    2.45755e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10685e+02   -2.11894e+02    2.20282e+01    3.58616e-06

           Step           Time
      238795000   477590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48764e+03    1.81839e+04    1.22793e+04    1.06651e+03   -2.75090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61146e+03    1.03691e+05    2.81993e+05   -1.72052e+04   -2.15687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19645e+04   -1.73555e+06    3.48734e+05   -1.38682e+06    2.45854e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12975e+02   -2.12385e+02    4.86900e+01    3.69365e-06

           Step           Time
      238800000   477600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70821e+03    1.82649e+04    1.23992e+04    1.07035e+03   -2.84097e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51675e+03    1.04472e+05    2.80171e+05   -1.71869e+04   -2.15300e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19499e+04   -1.73247e+06    3.47460e+05   -1.38501e+06    2.46140e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11832e+02   -2.11933e+02   -2.47328e+00    3.65672e-06

           Step           Time
      238805000   477610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47629e+03    1.83286e+04    1.24235e+04    9.79844e+02   -2.72876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60814e+03    1.04355e+05    2.82083e+05   -1.72039e+04   -2.15754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17775e+04   -1.73544e+06    3.46690e+05   -1.38875e+06    2.46800e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11141e+02   -2.12352e+02    6.61734e+01    3.36746e-06

           Step           Time
      238810000   477620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56894e+03    1.78771e+04    1.21422e+04    1.07774e+03   -2.88434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54733e+03    1.04059e+05    2.80003e+05   -1.71759e+04   -2.15577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21723e+04   -1.73638e+06    3.46801e+05   -1.38958e+06    2.46779e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11241e+02   -2.11661e+02   -4.75691e+01    3.68287e-06

           Step           Time
      238815000   477630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.15569e+03    1.85837e+04    1.23577e+04    1.06775e+03   -2.83919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54792e+03    1.04062e+05    2.80750e+05   -1.72081e+04   -2.15567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20513e+04   -1.73514e+06    3.45324e+05   -1.38981e+06    2.46925e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09915e+02   -2.12454e+02    7.28559e+00    3.62222e-06

           Step           Time
      238820000   477640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57393e+03    1.81372e+04    1.23417e+04    1.07145e+03   -2.77138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58300e+03    1.04252e+05    2.80833e+05   -1.71818e+04   -2.15565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18266e+04   -1.73498e+06    3.47225e+05   -1.38776e+06    2.47186e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11621e+02   -2.11807e+02   -1.16374e+01    3.52375e-06

           Step           Time
      238825000   477650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63795e+03    1.83494e+04    1.23280e+04    1.07445e+03   -2.81793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55747e+03    1.04093e+05    2.80454e+05   -1.72225e+04   -2.15554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20492e+04   -1.73504e+06    3.46522e+05   -1.38851e+06    2.47665e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10990e+02   -2.12810e+02    5.20185e+01    3.50189e-06

           Step           Time
      238830000   477660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67568e+03    1.84207e+04    1.24170e+04    1.09378e+03   -2.90113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58534e+03    1.04717e+05    2.80901e+05   -1.71948e+04   -2.15541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20119e+04   -1.73368e+06    3.46724e+05   -1.38696e+06    2.48099e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11171e+02   -2.12126e+02    4.71102e+01    3.54577e-06

           Step           Time
      238835000   477670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34932e+03    1.83158e+04    1.23714e+04    1.18548e+03   -2.90798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51723e+03    1.04028e+05    2.80609e+05   -1.72252e+04   -2.15652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19355e+04   -1.73634e+06    3.46791e+05   -1.38955e+06    2.47985e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11232e+02   -2.12878e+02    4.79560e+01    3.70379e-06

           Step           Time
      238840000   477680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53351e+03    1.82187e+04    1.25429e+04    1.14691e+03   -2.92077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50623e+03    1.04117e+05    2.78946e+05   -1.71608e+04   -2.15285e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21156e+04   -1.73381e+06    3.46526e+05   -1.38728e+06    2.48466e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10994e+02   -2.11291e+02   -4.70419e+01    3.64198e-06

           Step           Time
      238845000   477690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54665e+03    1.84982e+04    1.24060e+04    1.06391e+03   -2.88407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46885e+03    1.03849e+05    2.80333e+05   -1.71252e+04   -2.15456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20587e+04   -1.73435e+06    3.46911e+05   -1.38744e+06    2.48790e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11340e+02   -2.10415e+02   -3.28179e+01    3.70333e-06

           Step           Time
      238850000   477700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70701e+03    1.84586e+04    1.25417e+04    1.11293e+03   -2.78488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42691e+03    1.03984e+05    2.78632e+05   -1.71835e+04   -2.15456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19717e+04   -1.73569e+06    3.45184e+05   -1.39051e+06    2.49289e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09789e+02   -2.11849e+02   -1.32674e+02    3.33137e-06

           Step           Time
      238855000   477710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48681e+03    1.85458e+04    1.24969e+04    1.07633e+03   -2.82401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57487e+03    1.04393e+05    2.81643e+05   -1.71804e+04   -2.15602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19613e+04   -1.73385e+06    3.47713e+05   -1.38613e+06    2.49516e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12059e+02   -2.11771e+02    2.49375e+01    3.79497e-06

           Step           Time
      238860000   477720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66034e+03    1.83646e+04    1.23683e+04    1.07012e+03   -2.89274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34550e+03    1.04345e+05    2.77818e+05   -1.71666e+04   -2.15301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19498e+04   -1.73514e+06    3.45402e+05   -1.38974e+06    2.49794e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09985e+02   -2.11432e+02   -1.92642e+02    3.47421e-06

           Step           Time
      238865000   477730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54639e+03    1.80932e+04    1.22978e+04    1.01320e+03   -2.86555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56853e+03    1.03937e+05    2.81477e+05   -1.72041e+04   -2.15807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18666e+04   -1.73734e+06    3.47151e+05   -1.39019e+06    2.50110e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11554e+02   -2.12356e+02   -1.21282e+01    3.58759e-06

           Step           Time
      238870000   477740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49171e+03    1.82006e+04    1.24133e+04    1.05073e+03   -2.94045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50644e+03    1.03660e+05    2.81879e+05   -1.71720e+04   -2.15502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19596e+04   -1.73397e+06    3.45224e+05   -1.38874e+06    2.50256e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09825e+02   -2.11565e+02    4.27192e+01    3.62235e-06

           Step           Time
      238875000   477750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55349e+03    1.81427e+04    1.23913e+04    1.03482e+03   -2.87279e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46406e+03    1.04147e+05    2.79267e+05   -1.71980e+04   -2.15366e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20219e+04   -1.73471e+06    3.45393e+05   -1.38932e+06    2.51006e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09977e+02   -2.12207e+02   -9.58678e+01    3.49902e-06

           Step           Time
      238880000   477760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29404e+03    1.80493e+04    1.24494e+04    1.10151e+03   -2.94583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54123e+03    1.04705e+05    2.80612e+05   -1.71941e+04   -2.15601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20603e+04   -1.73534e+06    3.45945e+05   -1.38939e+06    2.50535e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10472e+02   -2.12110e+02   -2.20671e+01    3.49734e-06

           Step           Time
      238885000   477770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46022e+03    1.85557e+04    1.23961e+04    1.15464e+03   -2.94516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43487e+03    1.04027e+05    2.79670e+05   -1.71728e+04   -2.15365e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19612e+04   -1.73411e+06    3.47204e+05   -1.38691e+06    2.50775e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11602e+02   -2.11585e+02   -5.20812e+01    3.59546e-06

           Step           Time
      238890000   477780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52539e+03    1.83378e+04    1.22907e+04    1.03823e+03   -2.98695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41441e+03    1.03805e+05    2.78927e+05   -1.72180e+04   -2.15440e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19278e+04   -1.73633e+06    3.46778e+05   -1.38956e+06    2.50842e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11219e+02   -2.12700e+02   -7.09663e+01    3.50222e-06

           Step           Time
      238895000   477790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40437e+03    1.84204e+04    1.24486e+04    1.08776e+03   -2.98349e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64434e+03    1.03836e+05    2.82557e+05   -1.72268e+04   -2.15980e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21584e+04   -1.73746e+06    3.47316e+05   -1.39014e+06    2.51222e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11703e+02   -2.12918e+02    8.57540e+01    3.42496e-06

           Step           Time
      238900000   477800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39128e+03    1.82235e+04    1.23584e+04    1.10374e+03   -2.94253e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65122e+03    1.04182e+05    2.80303e+05   -1.71880e+04   -2.15721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18489e+04   -1.73728e+06    3.45393e+05   -1.39189e+06    2.51886e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09976e+02   -2.11961e+02   -9.77602e+01    3.50552e-06

           Step           Time
      238905000   477810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48078e+03    1.82245e+04    1.23128e+04    1.02782e+03   -2.81333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54484e+03    1.03929e+05    2.80585e+05   -1.71992e+04   -2.15765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19747e+04   -1.73758e+06    3.46676e+05   -1.39090e+06    2.51776e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11128e+02   -2.12236e+02   -4.07154e+01    3.57277e-06

           Step           Time
      238910000   477820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69533e+03    1.83233e+04    1.25263e+04    1.03924e+03   -2.93873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34022e+03    1.03949e+05    2.81862e+05   -1.71922e+04   -2.15731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20226e+04   -1.73569e+06    3.47298e+05   -1.38839e+06    2.52156e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11687e+02   -2.12064e+02   -3.89004e+01    3.50949e-06

           Step           Time
      238915000   477830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46733e+03    1.83072e+04    1.24165e+04    1.03216e+03   -2.82016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52626e+03    1.03921e+05    2.80114e+05   -1.72077e+04   -2.15624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20907e+04   -1.73640e+06    3.45976e+05   -1.39042e+06    2.52192e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10500e+02   -2.12444e+02   -3.05576e+01    3.42024e-06

           Step           Time
      238920000   477840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40444e+03    1.83482e+04    1.23647e+04    1.10569e+03   -2.90749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55653e+03    1.04405e+05    2.81418e+05   -1.71579e+04   -2.15636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18950e+04   -1.73492e+06    3.46458e+05   -1.38847e+06    2.52465e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10933e+02   -2.11218e+02    8.93101e+01    3.56345e-06

           Step           Time
      238925000   477850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54729e+03    1.88169e+04    1.26017e+04    1.14348e+03   -2.86975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50387e+03    1.03880e+05    2.80461e+05   -1.71334e+04   -2.15312e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20399e+04   -1.73213e+06    3.47843e+05   -1.38429e+06    2.53065e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12175e+02   -2.10618e+02    9.99902e+00    3.46037e-06

           Step           Time
      238930000   477860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27935e+03    1.87223e+04    1.23242e+04    1.06126e+03   -2.80012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48286e+03    1.03892e+05    2.80691e+05   -1.72147e+04   -2.15401e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21569e+04   -1.73342e+06    3.45835e+05   -1.38758e+06    2.53188e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10373e+02   -2.12618e+02    4.99710e+01    3.54148e-06

           Step           Time
      238935000   477870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56636e+03    1.86424e+04    1.23874e+04    1.03003e+03   -2.74568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38080e+03    1.04232e+05    2.80029e+05   -1.71766e+04   -2.15374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20472e+04   -1.73335e+06    3.45382e+05   -1.38796e+06    2.53535e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09967e+02   -2.11678e+02   -3.36661e+01    3.44645e-06

           Step           Time
      238940000   477880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67191e+03    1.85742e+04    1.24974e+04    1.08664e+03   -2.87963e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50199e+03    1.04045e+05    2.81216e+05   -1.71964e+04   -2.15350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21239e+04   -1.73186e+06    3.47054e+05   -1.38481e+06    2.53708e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11467e+02   -2.12166e+02    5.40535e+01    3.40480e-06

           Step           Time
      238945000   477890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32546e+03    1.84255e+04    1.26290e+04    1.03711e+03   -2.99980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58480e+03    1.04413e+05    2.79470e+05   -1.72160e+04   -2.15384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18577e+04   -1.73431e+06    3.46300e+05   -1.38801e+06    2.53440e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10790e+02   -2.12651e+02   -1.98244e+01    3.48218e-06

           Step           Time
      238950000   477900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36805e+03    1.82461e+04    1.24349e+04    1.06238e+03   -2.86905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66730e+03    1.04488e+05    2.78781e+05   -1.72081e+04   -2.15342e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19661e+04   -1.73448e+06    3.45641e+05   -1.38884e+06    2.54296e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10199e+02   -2.12454e+02   -3.64899e+01    3.47515e-06

           Step           Time
      238955000   477910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56814e+03    1.81661e+04    1.22989e+04    1.04903e+03   -2.92549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49780e+03    1.04550e+05    2.80758e+05   -1.71838e+04   -2.15801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18187e+04   -1.73741e+06    3.47346e+05   -1.39006e+06    2.54722e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11730e+02   -2.11856e+02   -3.79013e+01    3.45414e-06

           Step           Time
      238960000   477920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75284e+03    1.82184e+04    1.22536e+04    1.05775e+03   -2.95828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44830e+03    1.04715e+05    2.80716e+05   -1.72013e+04   -2.15638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18299e+04   -1.73554e+06    3.47000e+05   -1.38854e+06    2.54804e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11419e+02   -2.12288e+02   -5.87106e+01    3.53560e-06

           Step           Time
      238965000   477930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75421e+03    1.81125e+04    1.23691e+04    1.06568e+03   -2.89540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57365e+03    1.04633e+05    2.80917e+05   -1.71919e+04   -2.15310e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18815e+04   -1.73188e+06    3.46177e+05   -1.38570e+06    2.55346e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10680e+02   -2.12055e+02    8.80454e+01    3.56754e-06

           Step           Time
      238970000   477940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54986e+03    1.80209e+04    1.24340e+04    1.11250e+03   -2.99782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44819e+03    1.04250e+05    2.83783e+05   -1.71373e+04   -2.15834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21554e+04   -1.73473e+06    3.46189e+05   -1.38854e+06    2.55599e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10691e+02   -2.10713e+02    5.88664e+01    3.54419e-06

           Step           Time
      238975000   477950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69714e+03    1.81166e+04    1.25172e+04    1.12936e+03   -3.01097e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47194e+03    1.04339e+05    2.79175e+05   -1.72194e+04   -2.15366e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19173e+04   -1.73453e+06    3.45597e+05   -1.38893e+06    2.55942e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10160e+02   -2.12735e+02   -5.68964e+01    3.73518e-06

           Step           Time
      238980000   477960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73649e+03    1.79167e+04    1.22765e+04    1.02416e+03   -2.95341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57568e+03    1.04226e+05    2.79361e+05   -1.71551e+04   -2.15326e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19911e+04   -1.73426e+06    3.46450e+05   -1.38781e+06    2.55501e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10926e+02   -2.11151e+02   -1.07277e+02    3.58953e-06

           Step           Time
      238985000   477970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69313e+03    1.80981e+04    1.24520e+04    1.12854e+03   -2.89035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44074e+03    1.04319e+05    2.82782e+05   -1.72226e+04   -2.15988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21011e+04   -1.73698e+06    3.47141e+05   -1.38983e+06    2.56400e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11546e+02   -2.12814e+02    5.68767e+01    3.53629e-06

           Step           Time
      238990000   477980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47789e+03    1.83370e+04    1.23374e+04    1.11491e+03   -2.97365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43512e+03    1.04473e+05    2.81553e+05   -1.71781e+04   -2.15586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19349e+04   -1.73434e+06    3.46241e+05   -1.38810e+06    2.56391e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10738e+02   -2.11716e+02    1.96216e+01    3.54356e-06

           Step           Time
      238995000   477990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59765e+03    1.80807e+04    1.23683e+04    1.08047e+03   -2.97678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46382e+03    1.04197e+05    2.81920e+05   -1.71968e+04   -2.15523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19133e+04   -1.73378e+06    3.46989e+05   -1.38679e+06    2.56806e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11409e+02   -2.12175e+02    5.55373e+01    3.39108e-06

           Step           Time
      239000000   478000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39315e+03    1.81941e+04    1.23268e+04    1.02868e+03   -3.03132e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47100e+03    1.03803e+05    2.80321e+05   -1.71495e+04   -2.15428e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21849e+04   -1.73474e+06    3.46728e+05   -1.38801e+06    2.56680e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11175e+02   -2.11012e+02   -4.63426e+01    3.51051e-06

           Step           Time
      239005000   478010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38618e+03    1.80328e+04    1.25337e+04    1.07148e+03   -3.02089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42727e+03    1.04527e+05    2.79309e+05   -1.72064e+04   -2.15423e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21098e+04   -1.73506e+06    3.45979e+05   -1.38908e+06    2.57460e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10503e+02   -2.12414e+02   -1.00325e+02    3.46026e-06

           Step           Time
      239010000   478020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43252e+03    1.82668e+04    1.22701e+04    9.84309e+02   -2.97750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53904e+03    1.04121e+05    2.79680e+05   -1.71757e+04   -2.15541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18887e+04   -1.73638e+06    3.47131e+05   -1.38925e+06    2.57285e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11537e+02   -2.11658e+02   -6.98501e+01    3.77892e-06

           Step           Time
      239015000   478030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68948e+03    1.78530e+04    1.24431e+04    1.06072e+03   -3.03632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56621e+03    1.04656e+05    2.79277e+05   -1.71520e+04   -2.15584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19129e+04   -1.73657e+06    3.46765e+05   -1.38980e+06    2.57581e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11208e+02   -2.11073e+02   -1.35524e+02    3.43481e-06

           Step           Time
      239020000   478040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66637e+03    1.80374e+04    1.24179e+04    1.12068e+03   -2.92087e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43148e+03    1.04157e+05    2.78457e+05   -1.71771e+04   -2.15173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18832e+04   -1.73365e+06    3.47957e+05   -1.38570e+06    2.58050e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12278e+02   -2.11690e+02   -1.08668e+02    3.44574e-06

           Step           Time
      239025000   478050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70873e+03    1.83660e+04    1.22383e+04    1.06610e+03   -2.86037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47973e+03    1.04442e+05    2.82276e+05   -1.72175e+04   -2.15817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19530e+04   -1.73572e+06    3.47373e+05   -1.38835e+06    2.58824e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11754e+02   -2.12686e+02    7.82671e+01    3.62451e-06

           Step           Time
      239030000   478060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43174e+03    1.82221e+04    1.21383e+04    1.09922e+03   -2.83401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57005e+03    1.04498e+05    2.79847e+05   -1.72056e+04   -2.15619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20615e+04   -1.73636e+06    3.46756e+05   -1.38960e+06    2.59234e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11200e+02   -2.12394e+02   -4.15548e+01    3.38870e-06

           Step           Time
      239035000   478070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54928e+03    1.80805e+04    1.23495e+04    1.09348e+03   -2.80116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48722e+03    1.04276e+05    2.82057e+05   -1.71869e+04   -2.15778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18430e+04   -1.73604e+06    3.45364e+05   -1.39067e+06    2.59112e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09951e+02   -2.11933e+02    1.12491e+01    3.43226e-06

           Step           Time
      239040000   478080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53659e+03    1.81370e+04    1.23205e+04    1.14866e+03   -2.89312e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55416e+03    1.04125e+05    2.81589e+05   -1.72100e+04   -2.15673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18231e+04   -1.73560e+06    3.46436e+05   -1.38917e+06    2.59262e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10913e+02   -2.12502e+02    3.75242e+01    3.56822e-06

           Step           Time
      239045000   478090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29597e+03    1.79813e+04    1.24514e+04    1.07574e+03   -2.98754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63784e+03    1.04404e+05    2.80294e+05   -1.72030e+04   -2.15633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19387e+04   -1.73645e+06    3.46591e+05   -1.38986e+06    2.59572e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11052e+02   -2.12330e+02    3.86054e+01    3.40148e-06

           Step           Time
      239050000   478100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44160e+03    1.82972e+04    1.24587e+04    1.06610e+03   -2.92891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53015e+03    1.04178e+05    2.81418e+05   -1.72094e+04   -2.15700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19954e+04   -1.73575e+06    3.45683e+05   -1.39007e+06    2.60091e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10237e+02   -2.12488e+02    3.44603e+01    3.51880e-06

           Step           Time
      239055000   478110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66196e+03    1.81098e+04    1.23852e+04    1.09685e+03   -2.97563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58789e+03    1.04364e+05    2.83561e+05   -1.71892e+04   -2.16166e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22165e+04   -1.73784e+06    3.46054e+05   -1.39178e+06    2.61054e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10570e+02   -2.11988e+02    1.02396e+02    3.42766e-06

           Step           Time
      239060000   478120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48772e+03    1.80753e+04    1.23248e+04    9.65324e+02   -3.04377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40122e+03    1.04193e+05    2.82248e+05   -1.72235e+04   -2.15903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19919e+04   -1.73761e+06    3.44486e+05   -1.39312e+06    2.60831e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09163e+02   -2.12834e+02    2.03198e+01    3.40320e-06

           Step           Time
      239065000   478130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49752e+03    1.82268e+04    1.24655e+04    1.07610e+03   -2.96601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62177e+03    1.04378e+05    2.79692e+05   -1.71809e+04   -2.15266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20033e+04   -1.73285e+06    3.47441e+05   -1.38541e+06    2.60998e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11815e+02   -2.11784e+02    2.10224e+01    3.62449e-06

           Step           Time
      239070000   478140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55173e+03    1.84148e+04    1.23986e+04    1.13466e+03   -2.93217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57467e+03    1.04659e+05    2.81627e+05   -1.71616e+04   -2.15491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19649e+04   -1.73267e+06    3.46294e+05   -1.38638e+06    2.61584e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10785e+02   -2.11310e+02    3.37002e+01    3.62003e-06

           Step           Time
      239075000   478150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48056e+03    1.79549e+04    1.24376e+04    1.08886e+03   -2.85929e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53162e+03    1.04690e+05    2.81510e+05   -1.72121e+04   -2.15777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18638e+04   -1.73629e+06    3.46228e+05   -1.39006e+06    2.61775e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10726e+02   -2.12554e+02    6.10495e+01    3.47601e-06

           Step           Time
      239080000   478160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54648e+03    1.83170e+04    1.22694e+04    1.09134e+03   -2.91640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58643e+03    1.04413e+05    2.81163e+05   -1.71798e+04   -2.15585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19793e+04   -1.73458e+06    3.46786e+05   -1.38779e+06    2.62056e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11227e+02   -2.11756e+02    1.13846e+01    3.36769e-06

           Step           Time
      239085000   478170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39818e+03    1.79753e+04    1.22875e+04    1.10466e+03   -2.84149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47299e+03    1.04755e+05    2.80420e+05   -1.71648e+04   -2.15585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18934e+04   -1.73555e+06    3.43932e+05   -1.39162e+06    2.62550e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08665e+02   -2.11388e+02   -7.12706e-01    3.53429e-06

           Step           Time
      239090000   478180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41958e+03    1.86714e+04    1.23799e+04    1.13184e+03   -2.80440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42000e+03    1.04340e+05    2.80197e+05   -1.71841e+04   -2.15722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18908e+04   -1.73675e+06    3.47339e+05   -1.38942e+06    2.62268e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11723e+02   -2.11863e+02   -3.58054e+01    3.46898e-06

           Step           Time
      239095000   478190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75773e+03    1.83422e+04    1.22626e+04    1.05755e+03   -2.80357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41557e+03    1.04532e+05    2.81575e+05   -1.71655e+04   -2.15609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20765e+04   -1.73404e+06    3.45849e+05   -1.38820e+06    2.62894e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10386e+02   -2.11406e+02   -5.06821e+00    3.43505e-06

           Step           Time
      239100000   478200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57178e+03    1.85356e+04    1.23217e+04    1.04887e+03   -2.89906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34831e+03    1.04454e+05    2.80434e+05   -1.71874e+04   -2.15535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18204e+04   -1.73490e+06    3.46887e+05   -1.38801e+06    2.62838e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11317e+02   -2.11944e+02   -8.86237e+01    3.46687e-06

           Step           Time
      239105000   478210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50497e+03    1.82064e+04    1.24719e+04    1.09798e+03   -2.98200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52439e+03    1.04202e+05    2.79887e+05   -1.71838e+04   -2.15498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19997e+04   -1.73525e+06    3.45487e+05   -1.38977e+06    2.63166e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10061e+02   -2.11857e+02   -1.51876e+01    3.48983e-06

           Step           Time
      239110000   478220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56957e+03    1.83376e+04    1.24264e+04    1.11014e+03   -2.92362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46213e+03    1.04657e+05    2.81365e+05   -1.71473e+04   -2.15581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21126e+04   -1.73384e+06    3.46278e+05   -1.38756e+06    2.63750e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10771e+02   -2.10958e+02    8.07243e+00    3.45702e-06

           Step           Time
      239115000   478230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48652e+03    1.85733e+04    1.23454e+04    9.95264e+02   -2.90630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54066e+03    1.04263e+05    2.79704e+05   -1.71631e+04   -2.15413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20281e+04   -1.73426e+06    3.46784e+05   -1.38748e+06    2.63719e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11225e+02   -2.11347e+02   -7.36424e+01    3.63014e-06

           Step           Time
      239120000   478240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46127e+03    1.82704e+04    1.24634e+04    1.03789e+03   -2.97066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52220e+03    1.04345e+05    2.82570e+05   -1.71860e+04   -2.15814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18348e+04   -1.73579e+06    3.46094e+05   -1.38970e+06    2.63768e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10606e+02   -2.11910e+02    2.85069e+01    3.58987e-06

           Step           Time
      239125000   478250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36887e+03    1.84200e+04    1.22272e+04    1.10278e+03   -2.85066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45121e+03    1.04496e+05    2.83843e+05   -1.72105e+04   -2.15999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19852e+04   -1.73615e+06    3.46302e+05   -1.38985e+06    2.64235e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10792e+02   -2.12513e+02    1.69055e+02    3.68488e-06

           Step           Time
      239130000   478260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59234e+03    1.81804e+04    1.22499e+04    1.08249e+03   -2.91517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57878e+03    1.04371e+05    2.80568e+05   -1.71965e+04   -2.15636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20150e+04   -1.73584e+06    3.47338e+05   -1.38850e+06    2.64250e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11723e+02   -2.12168e+02   -3.95475e+01    3.65445e-06

           Step           Time
      239135000   478270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37832e+03    1.83086e+04    1.23449e+04    1.03039e+03   -2.84652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57142e+03    1.04506e+05    2.82184e+05   -1.71745e+04   -2.15698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19497e+04   -1.73473e+06    3.46249e+05   -1.38848e+06    2.64985e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10745e+02   -2.11627e+02    7.29355e+01    3.60385e-06

           Step           Time
      239140000   478280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58733e+03    1.80058e+04    1.22423e+04    1.06732e+03   -2.81305e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46090e+03    1.04399e+05    2.82763e+05   -1.71866e+04   -2.15744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20121e+04   -1.73490e+06    3.45883e+05   -1.38902e+06    2.65522e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10416e+02   -2.11926e+02    6.22690e+01    3.49754e-06

           Step           Time
      239145000   478290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45857e+03    1.80431e+04    1.24810e+04    1.04756e+03   -2.94047e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52642e+03    1.04318e+05    2.79256e+05   -1.71863e+04   -2.15311e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20060e+04   -1.73410e+06    3.47239e+05   -1.38686e+06    2.65058e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11634e+02   -2.11918e+02    2.11772e+01    3.46375e-06

           Step           Time
      239150000   478300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55415e+03    1.85025e+04    1.23270e+04    1.06494e+03   -2.86536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53586e+03    1.04059e+05    2.78369e+05   -1.71847e+04   -2.15212e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21353e+04   -1.73363e+06    3.46948e+05   -1.38668e+06    2.65821e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11372e+02   -2.11878e+02   -5.62089e+01    3.55884e-06

           Step           Time
      239155000   478310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34915e+03    1.81747e+04    1.24197e+04    1.12395e+03   -2.93153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51205e+03    1.04524e+05    2.79506e+05   -1.71838e+04   -2.15284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19736e+04   -1.73337e+06    3.46489e+05   -1.38688e+06    2.65830e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10960e+02   -2.11856e+02   -2.23329e+01    3.54641e-06

           Step           Time
      239160000   478320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59386e+03    1.83450e+04    1.25314e+04    1.06309e+03   -3.05780e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48408e+03    1.04241e+05    2.82140e+05   -1.72261e+04   -2.15781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19607e+04   -1.73573e+06    3.48972e+05   -1.38676e+06    2.66496e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13189e+02   -2.12899e+02    9.91950e+01    3.45379e-06

           Step           Time
      239165000   478330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58391e+03    1.82228e+04    1.23440e+04    1.13397e+03   -3.00375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49980e+03    1.04213e+05    2.80807e+05   -1.72060e+04   -2.15531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20394e+04   -1.73467e+06    3.47645e+05   -1.38703e+06    2.66395e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11998e+02   -2.12403e+02    3.96111e+00    3.52127e-06

           Step           Time
      239170000   478340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50092e+03    1.82278e+04    1.22096e+04    1.07644e+03   -2.86770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55138e+03    1.04291e+05    2.80936e+05   -1.71753e+04   -2.15529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19771e+04   -1.73457e+06    3.45821e+05   -1.38875e+06    2.67022e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10361e+02   -2.11648e+02    5.41751e+01    3.48869e-06

           Step           Time
      239175000   478350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78452e+03    1.83643e+04    1.24210e+04    1.05025e+03   -2.86729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58493e+03    1.03786e+05    2.80667e+05   -1.72201e+04   -2.15891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17130e+04   -1.73863e+06    3.47411e+05   -1.39122e+06    2.67454e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11788e+02   -2.12752e+02   -2.27477e+00    3.36886e-06

           Step           Time
      239180000   478360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35533e+03    1.85409e+04    1.22890e+04    1.13653e+03   -3.00970e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47795e+03    1.03919e+05    2.83091e+05   -1.72086e+04   -2.15891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19795e+04   -1.73634e+06    3.45939e+05   -1.39040e+06    2.67756e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10466e+02   -2.12466e+02    8.98586e+01    3.39661e-06

           Step           Time
      239185000   478370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50051e+03    1.80551e+04    1.24784e+04    1.11163e+03   -2.94030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57577e+03    1.04495e+05    2.79490e+05   -1.71722e+04   -2.15458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21824e+04   -1.73481e+06    3.45977e+05   -1.38883e+06    2.68331e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10501e+02   -2.11571e+02   -4.51342e+01    3.43247e-06

           Step           Time
      239190000   478380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56592e+03    1.82173e+04    1.22468e+04    1.14418e+03   -2.94326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70956e+03    1.03917e+05    2.79972e+05   -1.71767e+04   -2.15571e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19259e+04   -1.73613e+06    3.46577e+05   -1.38956e+06    2.68238e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11039e+02   -2.11681e+02    2.23550e+01    3.57725e-06

           Step           Time
      239195000   478390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47386e+03    1.86625e+04    1.24498e+04    1.05869e+03   -2.89256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53877e+03    1.04062e+05    2.79383e+05   -1.72175e+04   -2.15303e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20021e+04   -1.73351e+06    3.46401e+05   -1.38711e+06    2.68746e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10881e+02   -2.12687e+02   -3.46173e+01    3.37834e-06

           Step           Time
      239200000   478400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49437e+03    1.82625e+04    1.22064e+04    1.13225e+03   -2.91368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52424e+03    1.04473e+05    2.80000e+05   -1.71683e+04   -2.15363e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20040e+04   -1.73361e+06    3.46086e+05   -1.38753e+06    2.68579e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10599e+02   -2.11474e+02   -1.51227e+01    3.76463e-06

           Step           Time
      239205000   478410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48434e+03    1.79552e+04    1.23356e+04    1.10821e+03   -2.92942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61711e+03    1.04387e+05    2.80263e+05   -1.72108e+04   -2.15458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20679e+04   -1.73451e+06    3.47608e+05   -1.38690e+06    2.68872e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11964e+02   -2.12523e+02   -1.37052e+01    3.56276e-06

           Step           Time
      239210000   478420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51882e+03    1.81419e+04    1.22977e+04    1.11168e+03   -2.82958e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59979e+03    1.04592e+05    2.78936e+05   -1.71924e+04   -2.15333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19786e+04   -1.73418e+06    3.47797e+05   -1.38638e+06    2.69306e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12134e+02   -2.12067e+02   -6.95289e+01    3.69423e-06

           Step           Time
      239215000   478430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44644e+03    1.85627e+04    1.23031e+04    1.06920e+03   -2.88713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48084e+03    1.04317e+05    2.78944e+05   -1.71877e+04   -2.15182e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20685e+04   -1.73270e+06    3.45985e+05   -1.38672e+06    2.69861e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10508e+02   -2.11952e+02   -1.00972e+02    3.43985e-06

           Step           Time
      239220000   478440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59112e+03    1.84087e+04    1.22456e+04    1.08838e+03   -2.87407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59420e+03    1.04204e+05    2.80439e+05   -1.71775e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20350e+04   -1.73465e+06    3.47042e+05   -1.38761e+06    2.70228e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11456e+02   -2.11700e+02   -4.82649e+01    3.73117e-06

           Step           Time
      239225000   478450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49909e+03    1.82547e+04    1.22645e+04    1.04282e+03   -2.83984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54074e+03    1.03696e+05    2.79950e+05   -1.71904e+04   -2.15431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22193e+04   -1.73488e+06    3.47849e+05   -1.38703e+06    2.70532e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12181e+02   -2.12019e+02    1.99390e+01    3.58974e-06

           Step           Time
      239230000   478460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54835e+03    1.83167e+04    1.23271e+04    9.94121e+02   -2.86712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58398e+03    1.03710e+05    2.79325e+05   -1.71263e+04   -2.15397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21482e+04   -1.73501e+06    3.46657e+05   -1.38835e+06    2.70565e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11111e+02   -2.10442e+02   -1.11976e+02    3.50179e-06

           Step           Time
      239235000   478470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69526e+03    1.83503e+04    1.25268e+04    1.15663e+03   -2.76868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59248e+03    1.04159e+05    2.81540e+05   -1.72138e+04   -2.15475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19688e+04   -1.73274e+06    3.48898e+05   -1.38385e+06    2.71186e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13122e+02   -2.12595e+02    8.00748e+01    3.63225e-06

           Step           Time
      239240000   478480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65014e+03    1.81943e+04    1.24156e+04    1.11828e+03   -2.98952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64622e+03    1.04183e+05    2.79518e+05   -1.71619e+04   -2.15503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19638e+04   -1.73549e+06    3.45640e+05   -1.38985e+06    2.71832e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10198e+02   -2.11317e+02   -8.53056e+01    3.41220e-06

           Step           Time
      239245000   478490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48764e+03    1.82483e+04    1.24005e+04    1.01987e+03   -3.01701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51228e+03    1.04336e+05    2.79824e+05   -1.71827e+04   -2.15509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20884e+04   -1.73537e+06    3.46347e+05   -1.38902e+06    2.71846e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10833e+02   -2.11829e+02   -1.14274e+02    3.58109e-06

           Step           Time
      239250000   478500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50927e+03    1.79784e+04    1.23360e+04    1.17272e+03   -2.96546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59656e+03    1.04254e+05    2.79029e+05   -1.71965e+04   -2.15223e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20369e+04   -1.73348e+06    3.45583e+05   -1.38790e+06    2.71880e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10147e+02   -2.12170e+02   -5.54087e+01    3.54379e-06

           Step           Time
      239255000   478510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24524e+03    1.82648e+04    1.22302e+04    1.02696e+03   -2.99652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68725e+03    1.04325e+05    2.78884e+05   -1.71582e+04   -2.15208e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21176e+04   -1.73346e+06    3.46946e+05   -1.38651e+06    2.71759e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11370e+02   -2.11226e+02   -3.71343e+01    3.58289e-06

           Step           Time
      239260000   478520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41276e+03    1.81811e+04    1.24374e+04    1.07823e+03   -2.93119e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56766e+03    1.04210e+05    2.80673e+05   -1.72336e+04   -2.15740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20168e+04   -1.73699e+06    3.46257e+05   -1.39073e+06    2.72636e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10752e+02   -2.13085e+02    2.74035e+01    3.49003e-06

           Step           Time
      239265000   478530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36108e+03    1.83317e+04    1.24583e+04    1.09202e+03   -2.92653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60063e+03    1.04063e+05    2.80551e+05   -1.71488e+04   -2.15448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21465e+04   -1.73395e+06    3.47414e+05   -1.38653e+06    2.72636e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11791e+02   -2.10995e+02   -2.76825e+01    3.43508e-06

           Step           Time
      239270000   478540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54505e+03    1.83807e+04    1.22490e+04    1.06100e+03   -2.90226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53984e+03    1.04324e+05    2.82115e+05   -1.71727e+04   -2.15759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21017e+04   -1.73535e+06    3.47856e+05   -1.38750e+06    2.72761e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12187e+02   -2.11582e+02    8.41057e+01    3.43916e-06

           Step           Time
      239275000   478550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73620e+03    1.80297e+04    1.23859e+04    1.07785e+03   -2.79113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55440e+03    1.03894e+05    2.79224e+05   -1.72070e+04   -2.15266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20630e+04   -1.73370e+06    3.46754e+05   -1.38694e+06    2.73208e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11198e+02   -2.12428e+02   -3.55610e+00    3.50296e-06

           Step           Time
      239280000   478560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51091e+03    1.80943e+04    1.25267e+04    1.02653e+03   -2.87766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50833e+03    1.04321e+05    2.81625e+05   -1.72149e+04   -2.15761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19906e+04   -1.73610e+06    3.47036e+05   -1.38907e+06    2.73191e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11451e+02   -2.12623e+02    3.16447e+01    3.53011e-06

           Step           Time
      239285000   478570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39991e+03    1.82052e+04    1.24633e+04    1.06221e+03   -2.96826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50651e+03    1.04285e+05    2.82698e+05   -1.71795e+04   -2.15962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21757e+04   -1.73697e+06    3.45858e+05   -1.39111e+06    2.73650e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10394e+02   -2.11751e+02    2.53730e+01    3.64597e-06

           Step           Time
      239290000   478580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57135e+03    1.81861e+04    1.21566e+04    1.06227e+03   -2.83525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39806e+03    1.04240e+05    2.79864e+05   -1.71978e+04   -2.15688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20465e+04   -1.73739e+06    3.47529e+05   -1.38986e+06    2.73629e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11894e+02   -2.12201e+02   -2.71682e+01    3.46221e-06

Writing checkpoint, step 239290800 at Sat Dec  2 01:08:07 2023


           Step           Time
      239295000   478590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55140e+03    1.82382e+04    1.20513e+04    1.05890e+03   -2.96208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51947e+03    1.04425e+05    2.83143e+05   -1.71966e+04   -2.15935e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18881e+04   -1.73664e+06    3.45642e+05   -1.39099e+06    2.74081e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10200e+02   -2.12171e+02    4.41044e+01    3.65449e-06

           Step           Time
      239300000   478600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60010e+03    1.81340e+04    1.24622e+04    1.15677e+03   -2.85375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61963e+03    1.04370e+05    2.81632e+05   -1.72323e+04   -2.15707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19628e+04   -1.73522e+06    3.47536e+05   -1.38768e+06    2.74412e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11900e+02   -2.13052e+02    1.50414e+02    3.48756e-06

           Step           Time
      239305000   478610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47157e+03    1.82952e+04    1.23282e+04    1.11778e+03   -2.95899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52742e+03    1.04388e+05    2.81331e+05   -1.72399e+04   -2.15732e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18839e+04   -1.73618e+06    3.46392e+05   -1.38979e+06    2.74801e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10873e+02   -2.13240e+02    9.09358e+01    3.37091e-06

           Step           Time
      239310000   478620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70151e+03    1.81100e+04    1.22985e+04    1.10137e+03   -2.99393e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46987e+03    1.04360e+05    2.81001e+05   -1.71751e+04   -2.15490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19070e+04   -1.73412e+06    3.47032e+05   -1.38709e+06    2.74821e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11448e+02   -2.11641e+02   -2.47324e+00    3.57752e-06

           Step           Time
      239315000   478630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59634e+03    1.80732e+04    1.24630e+04    1.00715e+03   -2.92568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37996e+03    1.04202e+05    2.80493e+05   -1.71567e+04   -2.15419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20368e+04   -1.73402e+06    3.46316e+05   -1.38770e+06    2.74965e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10805e+02   -2.11189e+02   -3.94556e+01    3.73470e-06

           Step           Time
      239320000   478640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42655e+03    1.82315e+04    1.24107e+04    1.05941e+03   -2.94209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51276e+03    1.04109e+05    2.81812e+05   -1.72008e+04   -2.15680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22190e+04   -1.73516e+06    3.47318e+05   -1.38784e+06    2.75251e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11705e+02   -2.12274e+02    9.14478e+01    3.60311e-06

           Step           Time
      239325000   478650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65578e+03    1.82034e+04    1.25739e+04    1.05673e+03   -2.93834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57632e+03    1.04176e+05    2.80207e+05   -1.71787e+04   -2.15176e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20181e+04   -1.73141e+06    3.46885e+05   -1.38452e+06    2.75632e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11316e+02   -2.11729e+02    5.02037e+01    3.52376e-06

           Step           Time
      239330000   478660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67138e+03    1.81331e+04    1.24452e+04    1.13986e+03   -3.05272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52432e+03    1.04181e+05    2.80330e+05   -1.71895e+04   -2.15445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19476e+04   -1.73432e+06    3.45350e+05   -1.38897e+06    2.75889e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09938e+02   -2.11997e+02   -3.71277e+01    3.37067e-06

           Step           Time
      239335000   478670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69978e+03    1.81604e+04    1.23493e+04    1.13019e+03   -2.96754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59445e+03    1.03684e+05    2.80767e+05   -1.71818e+04   -2.15699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17901e+04   -1.73697e+06    3.45936e+05   -1.39103e+06    2.75895e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10464e+02   -2.11808e+02   -7.04907e+01    3.49835e-06

           Step           Time
      239340000   478680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33550e+03    1.79767e+04    1.22522e+04    1.01973e+03   -2.91306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50755e+03    1.04002e+05    2.82932e+05   -1.71985e+04   -2.15784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20691e+04   -1.73586e+06    3.44937e+05   -1.39092e+06    2.76122e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09568e+02   -2.12219e+02    6.78819e+01    3.55561e-06

           Step           Time
      239345000   478690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39152e+03    1.83684e+04    1.23964e+04    1.13643e+03   -2.95542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46055e+03    1.04662e+05    2.78413e+05   -1.71672e+04   -2.15016e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19773e+04   -1.73148e+06    3.48866e+05   -1.38261e+06    2.76369e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13094e+02   -2.11449e+02   -4.27693e+01    3.45334e-06

           Step           Time
      239350000   478700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38623e+03    1.80493e+04    1.24379e+04    1.11610e+03   -2.89885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49265e+03    1.04222e+05    2.80716e+05   -1.71989e+04   -2.15702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21011e+04   -1.73659e+06    3.45728e+05   -1.39087e+06    2.76869e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10277e+02   -2.12229e+02    2.87127e+01    3.45682e-06

           Step           Time
      239355000   478710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63706e+03    1.85675e+04    1.22829e+04    1.17359e+03   -2.90384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45936e+03    1.04219e+05    2.81993e+05   -1.71921e+04   -2.15561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20795e+04   -1.73329e+06    3.48594e+05   -1.38470e+06    2.77165e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12849e+02   -2.12061e+02    3.81748e+01    3.39517e-06

           Step           Time
      239360000   478720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43496e+03    1.84018e+04    1.23197e+04    1.04687e+03   -2.83019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52842e+03    1.04281e+05    2.80958e+05   -1.71781e+04   -2.15491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21714e+04   -1.73377e+06    3.46592e+05   -1.38718e+06    2.77072e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11053e+02   -2.11716e+02   -5.68850e+00    3.49246e-06

           Step           Time
      239365000   478730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40649e+03    1.81968e+04    1.23251e+04    1.06413e+03   -2.95538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56467e+03    1.04350e+05    2.81296e+05   -1.72495e+04   -2.15758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20190e+04   -1.73656e+06    3.44682e+05   -1.39188e+06    2.77628e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09339e+02   -2.13477e+02    5.17475e+01    3.39336e-06

           Step           Time
      239370000   478740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57973e+03    1.83076e+04    1.23814e+04    1.03768e+03   -2.88947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59747e+03    1.04071e+05    2.80358e+05   -1.71962e+04   -2.15460e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19903e+04   -1.73437e+06    3.45040e+05   -1.38933e+06    2.77665e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09660e+02   -2.12163e+02   -4.04233e+01    3.48081e-06

           Step           Time
      239375000   478750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38156e+03    1.80330e+04    1.23444e+04    1.10518e+03   -2.84719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49482e+03    1.04262e+05    2.83656e+05   -1.71727e+04   -2.15981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21158e+04   -1.73644e+06    3.45314e+05   -1.39112e+06    2.77689e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09906e+02   -2.11584e+02    7.10478e+01    3.51848e-06

           Step           Time
      239380000   478760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63665e+03    1.82512e+04    1.24852e+04    1.13239e+03   -2.81030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33722e+03    1.04269e+05    2.81248e+05   -1.71700e+04   -2.15670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20122e+04   -1.73531e+06    3.47936e+05   -1.38738e+06    2.78124e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12259e+02   -2.11517e+02   -7.35928e+01    3.42482e-06

           Step           Time
      239385000   478770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67704e+03    1.80540e+04    1.25155e+04    1.06943e+03   -2.92898e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54419e+03    1.03915e+05    2.80684e+05   -1.71939e+04   -2.15525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19379e+04   -1.73497e+06    3.48008e+05   -1.38696e+06    2.77969e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12324e+02   -2.12104e+02    4.32149e+01    3.47983e-06

           Step           Time
      239390000   478780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59818e+03    1.86838e+04    1.23798e+04    1.04567e+03   -2.96577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35014e+03    1.03886e+05    2.82306e+05   -1.71592e+04   -2.15747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19393e+04   -1.73541e+06    3.47482e+05   -1.38792e+06    2.78438e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11852e+02   -2.11250e+02    3.26814e+01    3.45584e-06

           Step           Time
      239395000   478790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66641e+03    1.80203e+04    1.23237e+04    1.15871e+03   -2.90548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52549e+03    1.04663e+05    2.81803e+05   -1.72145e+04   -2.15702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19581e+04   -1.73502e+06    3.46612e+05   -1.38841e+06    2.78968e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11071e+02   -2.12613e+02    4.22207e+01    3.44987e-06

           Step           Time
      239400000   478800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31703e+03    1.78699e+04    1.25136e+04    1.06287e+03   -2.88992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53366e+03    1.04328e+05    2.81831e+05   -1.72318e+04   -2.16004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18511e+04   -1.73885e+06    3.46748e+05   -1.39210e+06    2.78608e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11193e+02   -2.13039e+02    2.92229e+01    3.47189e-06

           Step           Time
      239405000   478810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45089e+03    1.83948e+04    1.23712e+04    1.16802e+03   -2.96770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34283e+03    1.04303e+05    2.80373e+05   -1.71841e+04   -2.15733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20764e+04   -1.73700e+06    3.46773e+05   -1.39022e+06    2.79002e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11215e+02   -2.11863e+02   -8.22660e+01    3.43288e-06

           Step           Time
      239410000   478820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37317e+03    1.82885e+04    1.23658e+04    1.06246e+03   -2.95077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56666e+03    1.04547e+05    2.79542e+05   -1.71570e+04   -2.15353e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19427e+04   -1.73394e+06    3.48097e+05   -1.38585e+06    2.79318e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12403e+02   -2.11197e+02    3.01745e+01    3.35646e-06

           Step           Time
      239415000   478830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21171e+03    1.81157e+04    1.24311e+04    1.14666e+03   -2.87538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44075e+03    1.04489e+05    2.80208e+05   -1.71849e+04   -2.15662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21201e+04   -1.73651e+06    3.44514e+05   -1.39200e+06    2.79479e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09188e+02   -2.11883e+02   -2.45035e+00    3.52827e-06

           Step           Time
      239420000   478840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33753e+03    1.82347e+04    1.23096e+04    1.10327e+03   -2.92759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52662e+03    1.04976e+05    2.81679e+05   -1.71770e+04   -2.15559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19456e+04   -1.73358e+06    3.47384e+05   -1.38620e+06    2.79628e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11764e+02   -2.11689e+02    6.00217e+01    3.51083e-06

           Step           Time
      239425000   478850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59776e+03    1.84976e+04    1.24315e+04    1.04218e+03   -2.92406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45078e+03    1.04255e+05    2.82347e+05   -1.71348e+04   -2.15687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19980e+04   -1.73431e+06    3.46150e+05   -1.38816e+06    2.80095e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10656e+02   -2.10652e+02   -1.78323e+00    3.64507e-06

           Step           Time
      239430000   478860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40161e+03    1.81452e+04    1.21914e+04    9.87956e+02   -2.93011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53641e+03    1.04007e+05    2.82142e+05   -1.72041e+04   -2.15814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18749e+04   -1.73699e+06    3.46240e+05   -1.39075e+06    2.80092e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10737e+02   -2.12356e+02    4.56921e+01    3.38736e-06

           Step           Time
      239435000   478870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36182e+03    1.80125e+04    1.24103e+04    1.07029e+03   -2.85179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59833e+03    1.04633e+05    2.79183e+05   -1.72265e+04   -2.15537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21371e+04   -1.73604e+06    3.46415e+05   -1.38963e+06    2.80596e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10894e+02   -2.12908e+02   -5.72783e+00    3.37373e-06

           Step           Time
      239440000   478880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57433e+03    1.79993e+04    1.24120e+04    1.09058e+03   -2.84637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42961e+03    1.04043e+05    2.80712e+05   -1.72053e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20102e+04   -1.73702e+06    3.45914e+05   -1.39111e+06    2.80994e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10445e+02   -2.12386e+02   -3.89113e+01    3.40268e-06

           Step           Time
      239445000   478890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78696e+03    1.83015e+04    1.23146e+04    1.03222e+03   -2.83917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35641e+03    1.04324e+05    2.81623e+05   -1.72209e+04   -2.15563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19591e+04   -1.73399e+06    3.46281e+05   -1.38771e+06    2.81040e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10774e+02   -2.12770e+02   -4.48332e+01    3.42212e-06

           Step           Time
      239450000   478900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52352e+03    1.81852e+04    1.24061e+04    1.12092e+03   -2.93037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54052e+03    1.04091e+05    2.80997e+05   -1.71535e+04   -2.15715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22332e+04   -1.73614e+06    3.46078e+05   -1.39006e+06    2.81544e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10592e+02   -2.11110e+02   -2.53953e+01    3.32258e-06

           Step           Time
      239455000   478910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59970e+03    1.80979e+04    1.23089e+04    9.38303e+02   -2.86693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54827e+03    1.04496e+05    2.81883e+05   -1.72145e+04   -2.15788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21970e+04   -1.73589e+06    3.47505e+05   -1.38838e+06    2.81485e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11872e+02   -2.12614e+02   -2.66771e+01    3.31071e-06

           Step           Time
      239460000   478920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56889e+03    1.82330e+04    1.23808e+04    1.10753e+03   -2.91582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53394e+03    1.04537e+05    2.80468e+05   -1.72290e+04   -2.15631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18756e+04   -1.73575e+06    3.46568e+05   -1.38918e+06    2.82401e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11032e+02   -2.12970e+02    3.52510e+01    3.51199e-06

           Step           Time
      239465000   478930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63828e+03    1.85339e+04    1.22744e+04    1.04626e+03   -2.89831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48481e+03    1.04217e+05    2.80849e+05   -1.72273e+04   -2.15598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20537e+04   -1.73501e+06    3.46684e+05   -1.38832e+06    2.82476e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11135e+02   -2.12929e+02   -1.15494e+01    3.58190e-06

           Step           Time
      239470000   478940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40570e+03    1.82955e+04    1.21433e+04    1.11304e+03   -2.91419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47093e+03    1.04617e+05    2.81023e+05   -1.71814e+04   -2.15742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21501e+04   -1.73630e+06    3.47641e+05   -1.38866e+06    2.82634e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11994e+02   -2.11796e+02   -3.20962e+01    3.83049e-06

           Step           Time
      239475000   478950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46622e+03    1.84773e+04    1.24955e+04    1.05528e+03   -2.94704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63206e+03    1.04341e+05    2.81292e+05   -1.72244e+04   -2.15533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20643e+04   -1.73368e+06    3.46875e+05   -1.38681e+06    2.83300e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11307e+02   -2.12856e+02    1.40448e+02    3.46574e-06

           Step           Time
      239480000   478960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51915e+03    1.78782e+04    1.25364e+04    1.14228e+03   -3.03071e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39616e+03    1.04340e+05    2.83006e+05   -1.71821e+04   -2.15973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19489e+04   -1.73717e+06    3.44938e+05   -1.39223e+06    2.83138e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09569e+02   -2.11815e+02   -2.91398e+01    3.50944e-06

           Step           Time
      239485000   478970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49946e+03    1.81963e+04    1.21848e+04    1.10492e+03   -2.93260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47934e+03    1.04260e+05    2.79446e+05   -1.72010e+04   -2.15525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19643e+04   -1.73625e+06    3.47359e+05   -1.38889e+06    2.83020e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11741e+02   -2.12279e+02   -9.55169e+00    3.48144e-06

           Step           Time
      239490000   478980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44855e+03    1.81547e+04    1.23234e+04    1.16869e+03   -2.86631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57235e+03    1.04352e+05    2.78873e+05   -1.71912e+04   -2.15384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20698e+04   -1.73493e+06    3.45349e+05   -1.38958e+06    2.84368e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09937e+02   -2.12038e+02   -7.18508e+01    3.52584e-06

           Step           Time
      239495000   478990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59399e+03    1.79767e+04    1.24759e+04    1.12333e+03   -3.00583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51833e+03    1.04491e+05    2.81689e+05   -1.72014e+04   -2.15559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19563e+04   -1.73398e+06    3.47614e+05   -1.38636e+06    2.84340e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11970e+02   -2.12289e+02    4.04990e+01    3.55652e-06

           Step           Time
      239500000   479000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80256e+03    1.84922e+04    1.23332e+04    1.05267e+03   -2.94182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36342e+03    1.03857e+05    2.80350e+05   -1.72263e+04   -2.15547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21207e+04   -1.73527e+06    3.45186e+05   -1.39008e+06    2.84718e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09791e+02   -2.12904e+02   -7.01712e+01    3.51643e-06

           Step           Time
      239505000   479010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64072e+03    1.82166e+04    1.24000e+04    1.03746e+03   -2.87426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46180e+03    1.04207e+05    2.83300e+05   -1.71699e+04   -2.15932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18443e+04   -1.73626e+06    3.47288e+05   -1.38897e+06    2.84739e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11677e+02   -2.11515e+02    1.14359e+01    3.53760e-06

           Step           Time
      239510000   479020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67393e+03    1.82208e+04    1.24167e+04    9.45595e+02   -2.96980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46198e+03    1.04312e+05    2.80332e+05   -1.71612e+04   -2.15533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21973e+04   -1.73490e+06    3.47269e+05   -1.38763e+06    2.84729e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11660e+02   -2.11300e+02   -9.81086e+01    3.51509e-06

           Step           Time
      239515000   479030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27602e+03    1.87803e+04    1.24536e+04    1.03047e+03   -2.89672e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59122e+03    1.04545e+05    2.79191e+05   -1.72133e+04   -2.15230e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21177e+04   -1.73242e+06    3.47127e+05   -1.38530e+06    2.85550e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11533e+02   -2.12583e+02    1.08346e+02    3.54763e-06

           Step           Time
      239520000   479040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70626e+03    1.82605e+04    1.24719e+04    1.08742e+03   -2.92281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45877e+03    1.04669e+05    2.81235e+05   -1.71947e+04   -2.15645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18333e+04   -1.73484e+06    3.45980e+05   -1.38886e+06    2.85789e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10503e+02   -2.12125e+02   -6.31142e+01    3.52143e-06

           Step           Time
      239525000   479050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73721e+03    1.83181e+04    1.24360e+04    1.16237e+03   -2.77997e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46859e+03    1.04240e+05    2.77591e+05   -1.71886e+04   -2.15030e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21232e+04   -1.73219e+06    3.46433e+05   -1.38576e+06    2.86415e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10910e+02   -2.11974e+02   -1.28126e+02    3.47748e-06

           Step           Time
      239530000   479060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45157e+03    1.81706e+04    1.24554e+04    1.10702e+03   -2.95943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51632e+03    1.04274e+05    2.80457e+05   -1.71301e+04   -2.15553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21762e+04   -1.73501e+06    3.47372e+05   -1.38764e+06    2.85930e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11752e+02   -2.10536e+02   -6.74535e+01    3.59707e-06

           Step           Time
      239535000   479070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40906e+03    1.80124e+04    1.23086e+04    1.05728e+03   -2.85019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51399e+03    1.04369e+05    2.78187e+05   -1.71756e+04   -2.15406e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18123e+04   -1.73641e+06    3.45664e+05   -1.39075e+06    2.86635e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10220e+02   -2.11655e+02   -9.45629e+01    3.43219e-06

           Step           Time
      239540000   479080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65415e+03    1.78452e+04    1.25406e+04    1.00412e+03   -2.93643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54952e+03    1.04245e+05    2.80790e+05   -1.72041e+04   -2.15573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19940e+04   -1.73525e+06    3.48301e+05   -1.38695e+06    2.86319e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12587e+02   -2.12357e+02   -1.25176e+01    3.52005e-06

           Step           Time
      239545000   479090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67585e+03    1.80510e+04    1.23125e+04    1.03227e+03   -2.85057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56826e+03    1.04223e+05    2.80728e+05   -1.71823e+04   -2.15446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19270e+04   -1.73397e+06    3.47809e+05   -1.38616e+06    2.87126e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12145e+02   -2.11819e+02   -5.02395e+01    3.47777e-06

           Step           Time
      239550000   479100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60715e+03    1.81691e+04    1.24078e+04    1.10636e+03   -2.87731e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49609e+03    1.04423e+05    2.79393e+05   -1.71751e+04   -2.15248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18647e+04   -1.73307e+06    3.47235e+05   -1.38583e+06    2.87246e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11630e+02   -2.11642e+02   -1.07701e+01    3.52252e-06

           Step           Time
      239555000   479110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45961e+03    1.84703e+04    1.25061e+04    1.12240e+03   -2.97813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54929e+03    1.04116e+05    2.81272e+05   -1.71921e+04   -2.15376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20655e+04   -1.73236e+06    3.46133e+05   -1.38623e+06    2.87804e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10641e+02   -2.12060e+02    3.94635e+01    3.45877e-06

           Step           Time
      239560000   479120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79926e+03    1.80275e+04    1.26185e+04    1.04983e+03   -2.87207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58177e+03    1.03773e+05    2.79860e+05   -1.71757e+04   -2.15420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20121e+04   -1.73453e+06    3.47958e+05   -1.38657e+06    2.87649e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12278e+02   -2.11657e+02   -1.61311e+01    3.66398e-06

           Step           Time
      239565000   479130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89810e+03    1.84603e+04    1.22447e+04    1.15077e+03   -2.85452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56191e+03    1.04242e+05    2.79768e+05   -1.71680e+04   -2.15321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20558e+04   -1.73285e+06    3.49745e+05   -1.38310e+06    2.87836e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13882e+02   -2.11467e+02   -6.85614e+00    3.53541e-06

           Step           Time
      239570000   479140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56036e+03    1.83846e+04    1.22437e+04    1.13932e+03   -2.93971e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58295e+03    1.03887e+05    2.84256e+05   -1.71939e+04   -2.15733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21010e+04   -1.73331e+06    3.45279e+05   -1.38803e+06    2.88472e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09874e+02   -2.12106e+02    1.57286e+02    3.56016e-06

           Step           Time
      239575000   479150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46835e+03    1.82277e+04    1.21567e+04    1.10776e+03   -2.80423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58663e+03    1.04160e+05    2.81784e+05   -1.72023e+04   -2.15904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20140e+04   -1.73754e+06    3.46890e+05   -1.39065e+06    2.88156e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11320e+02   -2.12313e+02    9.22020e+01    3.50604e-06

           Step           Time
      239580000   479160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44259e+03    1.80800e+04    1.23196e+04    1.01019e+03   -2.87010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58551e+03    1.04104e+05    2.80573e+05   -1.71533e+04   -2.15471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18859e+04   -1.73473e+06    3.46049e+05   -1.38868e+06    2.88462e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10566e+02   -2.11105e+02    8.54095e-01    3.47114e-06

           Step           Time
      239585000   479170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46170e+03    1.82247e+04    1.22576e+04    1.12281e+03   -2.81891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56361e+03    1.04002e+05    2.80992e+05   -1.71575e+04   -2.15364e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20014e+04   -1.73299e+06    3.45036e+05   -1.38796e+06    2.88661e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09656e+02   -2.11209e+02    6.80872e+00    3.44872e-06

           Step           Time
      239590000   479180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35220e+03    1.83707e+04    1.22988e+04    1.01530e+03   -2.86135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62684e+03    1.03981e+05    2.80157e+05   -1.72186e+04   -2.15625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21846e+04   -1.73635e+06    3.50211e+05   -1.38614e+06    2.88724e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14300e+02   -2.12715e+02    9.40679e+01    3.42917e-06

           Step           Time
      239595000   479190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40673e+03    1.80715e+04    1.24528e+04    1.16957e+03   -2.92893e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54652e+03    1.04086e+05    2.79083e+05   -1.72228e+04   -2.15766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18012e+04   -1.73920e+06    3.47452e+05   -1.39175e+06    2.89399e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11824e+02   -2.12819e+02   -6.32639e+01    3.51917e-06

           Step           Time
      239600000   479200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65996e+03    1.82447e+04    1.22803e+04    1.08267e+03   -2.76028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50377e+03    1.03998e+05    2.80171e+05   -1.71897e+04   -2.15585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18032e+04   -1.73606e+06    3.46342e+05   -1.38971e+06    2.89646e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10829e+02   -2.12001e+02   -1.45511e+01    3.52217e-06

           Step           Time
      239605000   479210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56948e+03    1.78262e+04    1.21689e+04    1.07560e+03   -2.84175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42567e+03    1.04202e+05    2.77862e+05   -1.71636e+04   -2.15357e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19334e+04   -1.73651e+06    3.45217e+05   -1.39129e+06    2.89749e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09819e+02   -2.11359e+02   -2.56422e+02    3.48602e-06

           Step           Time
      239610000   479220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82116e+03    1.82456e+04    1.24414e+04    1.09030e+03   -2.83841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40249e+03    1.03801e+05    2.81845e+05   -1.72035e+04   -2.15570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20459e+04   -1.73405e+06    3.48998e+05   -1.38505e+06    2.90136e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13212e+02   -2.12343e+02    6.93188e+01    3.57296e-06

           Step           Time
      239615000   479230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53059e+03    1.82673e+04    1.24550e+04    1.07788e+03   -2.91438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56142e+03    1.03984e+05    2.79684e+05   -1.71761e+04   -2.15470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21422e+04   -1.73508e+06    3.46992e+05   -1.38809e+06    2.90928e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11412e+02   -2.11666e+02   -5.35525e+01    3.42747e-06

           Step           Time
      239620000   479240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40248e+03    1.79302e+04    1.21488e+04    1.14521e+03   -2.93392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50084e+03    1.04235e+05    2.77057e+05   -1.71881e+04   -2.15184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17875e+04   -1.73575e+06    3.45291e+05   -1.39046e+06    2.91050e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09886e+02   -2.11963e+02   -1.48440e+02    3.33965e-06

           Step           Time
      239625000   479250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45669e+03    1.81296e+04    1.23690e+04    1.01147e+03   -2.92996e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54585e+03    1.04271e+05    2.82135e+05   -1.72299e+04   -2.15779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18100e+04   -1.73622e+06    3.45009e+05   -1.39121e+06    2.90992e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09632e+02   -2.12993e+02    7.21047e+01    3.48106e-06

           Step           Time
      239630000   479260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82712e+03    1.81371e+04    1.23591e+04    1.05309e+03   -2.85995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57158e+03    1.04070e+05    2.82621e+05   -1.72370e+04   -2.15654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18442e+04   -1.73416e+06    3.47361e+05   -1.38680e+06    2.91832e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11743e+02   -2.13169e+02    1.37428e+02    3.54464e-06

           Step           Time
      239635000   479270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53756e+03    1.83177e+04    1.24911e+04    1.07668e+03   -3.00401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49974e+03    1.04105e+05    2.79317e+05   -1.71980e+04   -2.15440e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19879e+04   -1.73527e+06    3.47067e+05   -1.38820e+06    2.91670e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11479e+02   -2.12207e+02   -2.79341e+01    3.68550e-06

           Step           Time
      239640000   479280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60063e+03    1.82708e+04    1.22705e+04    1.06561e+03   -2.81007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47417e+03    1.03706e+05    2.80429e+05   -1.71311e+04   -2.15547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20006e+04   -1.73559e+06    3.47128e+05   -1.38847e+06    2.91708e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11534e+02   -2.10559e+02   -9.89178e+01    3.68431e-06

           Step           Time
      239645000   479290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63598e+03    1.78328e+04    1.21373e+04    1.03182e+03   -2.83180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58104e+03    1.04293e+05    2.78841e+05   -1.71768e+04   -2.15415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19907e+04   -1.73581e+06    3.47895e+05   -1.38792e+06    2.92136e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12222e+02   -2.11685e+02   -9.83431e+01    3.49001e-06

           Step           Time
      239650000   479300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57046e+03    1.81776e+04    1.23264e+04    1.12083e+03   -2.79921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56873e+03    1.03680e+05    2.80643e+05   -1.71564e+04   -2.15312e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21464e+04   -1.73284e+06    3.45857e+05   -1.38699e+06    2.92654e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10393e+02   -2.11183e+02    6.39248e+00    3.55028e-06

           Step           Time
      239655000   479310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31652e+03    1.84335e+04    1.23500e+04    1.04396e+03   -2.79393e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54502e+03    1.03831e+05    2.77560e+05   -1.71993e+04   -2.15392e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21109e+04   -1.73672e+06    3.47332e+05   -1.38939e+06    2.92805e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11717e+02   -2.12239e+02   -1.39641e+02    3.53366e-06

           Step           Time
      239660000   479320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55273e+03    1.79185e+04    1.22661e+04    1.09173e+03   -2.70018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54171e+03    1.03960e+05    2.79700e+05   -1.72200e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18918e+04   -1.73656e+06    3.43821e+05   -1.39274e+06    2.93270e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08566e+02   -2.12749e+02   -4.24321e+01    3.47538e-06

           Step           Time
      239665000   479330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45929e+03    1.84113e+04    1.20661e+04    1.06244e+03   -2.71389e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60497e+03    1.03908e+05    2.80159e+05   -1.72168e+04   -2.15744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18792e+04   -1.73782e+06    3.47652e+05   -1.39017e+06    2.93542e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12004e+02   -2.12669e+02   -1.05667e+01    3.44766e-06

           Step           Time
      239670000   479340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53870e+03    1.80761e+04    1.22865e+04    1.01591e+03   -2.75918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41566e+03    1.04323e+05    2.84153e+05   -1.71931e+04   -2.15898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20158e+04   -1.73511e+06    3.47484e+05   -1.38762e+06    2.93826e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11853e+02   -2.12086e+02    1.25254e+02    3.48859e-06

           Step           Time
      239675000   479350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53984e+03    1.78673e+04    1.24437e+04    1.04006e+03   -2.74484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60136e+03    1.03942e+05    2.82838e+05   -1.72094e+04   -2.15929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20261e+04   -1.73694e+06    3.46804e+05   -1.39014e+06    2.93851e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11244e+02   -2.12487e+02    1.02528e+02    3.28637e-06

           Step           Time
      239680000   479360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31727e+03    1.80875e+04    1.23918e+04    1.12500e+03   -2.94475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59770e+03    1.04289e+05    2.80128e+05   -1.71557e+04   -2.15495e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20353e+04   -1.73508e+06    3.46486e+05   -1.38859e+06    2.94649e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10958e+02   -2.11165e+02    2.91769e+01    3.44578e-06

           Step           Time
      239685000   479370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56893e+03    1.83351e+04    1.22892e+04    1.10971e+03   -2.99129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57452e+03    1.03858e+05    2.77239e+05   -1.72273e+04   -2.15108e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19970e+04   -1.73433e+06    3.48578e+05   -1.38575e+06    2.94430e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12835e+02   -2.12930e+02   -8.86328e+01    3.41611e-06

           Step           Time
      239690000   479380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61567e+03    1.82988e+04    1.22890e+04    9.99420e+02   -2.91796e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54994e+03    1.03796e+05    2.80068e+05   -1.71994e+04   -2.15212e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20874e+04   -1.73253e+06    3.46940e+05   -1.38559e+06    2.95015e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11365e+02   -2.12241e+02    2.98615e+01    3.39132e-06

           Step           Time
      239695000   479390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60342e+03    1.83914e+04    1.22088e+04    1.06670e+03   -2.79494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47400e+03    1.04086e+05    2.81950e+05   -1.71711e+04   -2.15679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21706e+04   -1.73480e+06    3.47251e+05   -1.38755e+06    2.94999e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11645e+02   -2.11544e+02    3.10259e+01    3.49104e-06

           Step           Time
      239700000   479400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51949e+03    1.79607e+04    1.23566e+04    1.12021e+03   -2.91066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59232e+03    1.04016e+05    2.80853e+05   -1.71631e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20544e+04   -1.73534e+06    3.45823e+05   -1.38952e+06    2.94871e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10363e+02   -2.11346e+02   -4.75717e+01    3.33594e-06

           Step           Time
      239705000   479410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62490e+03    1.77592e+04    1.23982e+04    1.01810e+03   -2.91326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65195e+03    1.04175e+05    2.81133e+05   -1.71657e+04   -2.15681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20656e+04   -1.73607e+06    3.45896e+05   -1.39017e+06    2.95062e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10429e+02   -2.11409e+02    1.45179e+01    3.41154e-06

           Step           Time
      239710000   479420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40559e+03    1.79937e+04    1.22061e+04    1.07446e+03   -2.83435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52998e+03    1.04775e+05    2.80859e+05   -1.71903e+04   -2.15540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18881e+04   -1.73469e+06    3.47439e+05   -1.38725e+06    2.95249e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11813e+02   -2.12016e+02    1.98051e+00    3.50276e-06

           Step           Time
      239715000   479430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49095e+03    1.83105e+04    1.24268e+04    1.03478e+03   -2.92538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42869e+03    1.04170e+05    2.81894e+05   -1.71718e+04   -2.15665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20310e+04   -1.73496e+06    3.47027e+05   -1.38793e+06    2.95399e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11443e+02   -2.11562e+02   -3.01962e+01    3.46885e-06

           Step           Time
      239720000   479440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64375e+03    1.85166e+04    1.22874e+04    1.07788e+03   -2.74603e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51161e+03    1.04125e+05    2.81202e+05   -1.71665e+04   -2.15445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20427e+04   -1.73296e+06    3.46497e+05   -1.38646e+06    2.95966e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10968e+02   -2.11430e+02    6.18751e+01    3.59687e-06

           Step           Time
      239725000   479450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47116e+03    1.81011e+04    1.23056e+04    1.03482e+03   -2.84123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59954e+03    1.04429e+05    2.80389e+05   -1.71988e+04   -2.15464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19973e+04   -1.73435e+06    3.46384e+05   -1.38797e+06    2.96014e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10866e+02   -2.12226e+02    6.42429e+00    3.55514e-06

           Step           Time
      239730000   479460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45401e+03    1.83869e+04    1.24340e+04    1.03044e+03   -2.91272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42595e+03    1.04104e+05    2.80821e+05   -1.71785e+04   -2.15418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19220e+04   -1.73369e+06    3.47668e+05   -1.38602e+06    2.96231e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12018e+02   -2.11725e+02    1.32061e+01    3.48241e-06

           Step           Time
      239735000   479470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52184e+03    1.82140e+04    1.23364e+04    1.09477e+03   -2.93855e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42626e+03    1.04337e+05    2.81743e+05   -1.71893e+04   -2.15855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19877e+04   -1.73702e+06    3.46456e+05   -1.39057e+06    2.96989e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10930e+02   -2.11992e+02   -5.54209e+00    3.50882e-06

           Step           Time
      239740000   479480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51970e+03    1.84855e+04    1.22956e+04    1.11040e+03   -2.80968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49398e+03    1.03945e+05    2.81450e+05   -1.72192e+04   -2.15634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20361e+04   -1.73504e+06    3.46970e+05   -1.38807e+06    2.97278e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11392e+02   -2.12729e+02    6.34054e+01    3.56668e-06

           Step           Time
      239745000   479490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65470e+03    1.79175e+04    1.24487e+04    1.10456e+03   -2.96753e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55368e+03    1.04270e+05    2.82334e+05   -1.72007e+04   -2.15750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19095e+04   -1.73547e+06    3.45571e+05   -1.38990e+06    2.97475e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10137e+02   -2.12273e+02    9.50160e+01    3.57378e-06

           Step           Time
      239750000   479500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50833e+03    1.82495e+04    1.22007e+04    1.06689e+03   -2.91540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45962e+03    1.04148e+05    2.83193e+05   -1.72607e+04   -2.16006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19076e+04   -1.73751e+06    3.48420e+05   -1.38909e+06    2.97236e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12693e+02   -2.13755e+02    1.66126e+02    3.53746e-06

           Step           Time
      239755000   479510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51383e+03    1.82983e+04    1.22906e+04    1.01374e+03   -2.78038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51747e+03    1.04045e+05    2.80216e+05   -1.72178e+04   -2.15358e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19323e+04   -1.73375e+06    3.46365e+05   -1.38738e+06    2.98229e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10849e+02   -2.12693e+02    5.14900e+01    3.41821e-06

           Step           Time
      239760000   479520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55332e+03    1.84504e+04    1.22078e+04    1.14464e+03   -2.87289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43815e+03    1.03596e+05    2.81936e+05   -1.72192e+04   -2.15507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20434e+04   -1.73379e+06    3.46867e+05   -1.38693e+06    2.98436e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11300e+02   -2.12730e+02    1.14850e+02    3.44324e-06

           Step           Time
      239765000   479530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60128e+03    1.78214e+04    1.22134e+04    1.02115e+03   -2.85205e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52606e+03    1.04482e+05    2.81913e+05   -1.71870e+04   -2.15845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18202e+04   -1.73709e+06    3.45140e+05   -1.39195e+06    2.98851e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09749e+02   -2.11934e+02   -1.29218e+01    3.43149e-06

           Step           Time
      239770000   479540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42677e+03    1.85298e+04    1.21663e+04    1.04679e+03   -2.93811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48947e+03    1.04253e+05    2.81933e+05   -1.71845e+04   -2.15845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20707e+04   -1.73665e+06    3.46143e+05   -1.39051e+06    2.99271e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10650e+02   -2.11874e+02    7.86967e+01    3.45372e-06

           Step           Time
      239775000   479550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51258e+03    1.79251e+04    1.24792e+04    1.00527e+03   -2.78457e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66658e+03    1.04177e+05    2.82464e+05   -1.71785e+04   -2.15733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18910e+04   -1.73517e+06    3.46909e+05   -1.38826e+06    2.99384e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11337e+02   -2.11725e+02    5.85225e+01    3.34440e-06

           Step           Time
      239780000   479560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48318e+03    1.82232e+04    1.22939e+04    9.81573e+02   -2.90227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54565e+03    1.04000e+05    2.78532e+05   -1.72010e+04   -2.15393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18795e+04   -1.73609e+06    3.44659e+05   -1.39143e+06    2.99541e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09318e+02   -2.12280e+02   -9.65360e+01    3.40661e-06

           Step           Time
      239785000   479570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53708e+03    1.83932e+04    1.22795e+04    1.07773e+03   -2.86982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45289e+03    1.04180e+05    2.81666e+05   -1.72226e+04   -2.15888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18719e+04   -1.73752e+06    3.47795e+05   -1.38972e+06    2.99946e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12132e+02   -2.12814e+02    3.46710e+01    3.44883e-06

           Step           Time
      239790000   479580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58821e+03    1.82956e+04    1.23553e+04    1.06234e+03   -2.80308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50170e+03    1.03794e+05    2.76925e+05   -1.71482e+04   -2.14853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21251e+04   -1.73184e+06    3.47873e+05   -1.38396e+06    2.99922e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12202e+02   -2.10981e+02   -1.10177e+02    3.54462e-06

           Step           Time
      239795000   479590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45895e+03    1.78494e+04    1.21316e+04    1.10350e+03   -2.96502e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51542e+03    1.04494e+05    2.79984e+05   -1.72174e+04   -2.15659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19142e+04   -1.73732e+06    3.45835e+05   -1.39149e+06    3.00122e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10373e+02   -2.12684e+02   -4.39346e+01    3.37510e-06

           Step           Time
      239800000   479600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45903e+03    1.83558e+04    1.23536e+04    1.17113e+03   -2.81598e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48733e+03    1.04255e+05    2.80413e+05   -1.72041e+04   -2.15366e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21195e+04   -1.73306e+06    3.47512e+05   -1.38555e+06    3.00531e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11878e+02   -2.12357e+02    4.03436e+01    3.50482e-06

           Step           Time
      239805000   479610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40078e+03    1.77903e+04    1.21650e+04    1.06777e+03   -2.87003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56106e+03    1.04001e+05    2.82580e+05   -1.71927e+04   -2.15894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19820e+04   -1.73746e+06    3.46600e+05   -1.39086e+06    2.99988e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11060e+02   -2.12074e+02    6.37922e+01    3.60293e-06

           Step           Time
      239810000   479620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69022e+03    1.83638e+04    1.23322e+04    1.15378e+03   -2.76397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41325e+03    1.03907e+05    2.82977e+05   -1.72380e+04   -2.15731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19051e+04   -1.73457e+06    3.47789e+05   -1.38678e+06    3.01000e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12127e+02   -2.13192e+02    4.22839e+01    3.40411e-06

           Step           Time
      239815000   479630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56500e+03    1.81516e+04    1.23076e+04    1.11920e+03   -2.92648e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43491e+03    1.04325e+05    2.82878e+05   -1.72246e+04   -2.15985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20886e+04   -1.73713e+06    3.45668e+05   -1.39146e+06    3.01086e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10223e+02   -2.12863e+02    3.12070e+01    3.52489e-06

           Step           Time
      239820000   479640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65733e+03    1.85439e+04    1.22367e+04    1.10379e+03   -3.03377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38892e+03    1.04038e+05    2.82593e+05   -1.71876e+04   -2.15810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18986e+04   -1.73586e+06    3.47007e+05   -1.38885e+06    3.01130e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11426e+02   -2.11949e+02    2.85661e+01    3.45733e-06

           Step           Time
      239825000   479650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65367e+03    1.82913e+04    1.24845e+04    1.05710e+03   -2.94236e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40898e+03    1.03719e+05    2.81904e+05   -1.72346e+04   -2.15802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19976e+04   -1.73668e+06    3.46878e+05   -1.38981e+06    3.01831e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11310e+02   -2.13110e+02    3.06563e+01    3.54331e-06

           Step           Time
      239830000   479660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54524e+03    1.79681e+04    1.23513e+04    1.12636e+03   -2.84220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46806e+03    1.04470e+05    2.79697e+05   -1.71383e+04   -2.15564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21825e+04   -1.73581e+06    3.45541e+05   -1.39027e+06    3.01854e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10109e+02   -2.10737e+02   -1.08706e+02    3.48467e-06

           Step           Time
      239835000   479670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49187e+03    1.80640e+04    1.23939e+04    1.05092e+03   -2.93362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55571e+03    1.04385e+05    2.82533e+05   -1.71965e+04   -2.15940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20034e+04   -1.73705e+06    3.46235e+05   -1.39082e+06    3.01749e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10732e+02   -2.12168e+02    4.65798e+01    3.61632e-06

           Step           Time
      239840000   479680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51408e+03    1.83799e+04    1.23904e+04    1.07752e+03   -2.99483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49069e+03    1.04548e+05    2.79163e+05   -1.71521e+04   -2.15284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19364e+04   -1.73348e+06    3.45885e+05   -1.38760e+06    3.02179e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10419e+02   -2.11075e+02   -4.55238e+01    3.52333e-06

           Step           Time
      239845000   479690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57519e+03    1.82639e+04    1.22879e+04    1.07719e+03   -2.90613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34512e+03    1.04107e+05    2.81564e+05   -1.72209e+04   -2.15828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20491e+04   -1.73714e+06    3.45753e+05   -1.39138e+06    3.02520e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10300e+02   -2.12770e+02   -6.68196e+00    3.51068e-06

           Step           Time
      239850000   479700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80549e+03    1.86870e+04    1.24183e+04    1.09035e+03   -2.87323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54989e+03    1.03889e+05    2.78713e+05   -1.71811e+04   -2.15141e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21032e+04   -1.73221e+06    3.47693e+05   -1.38452e+06    3.02718e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12041e+02   -2.11789e+02   -1.17783e+01    3.75722e-06

           Step           Time
      239855000   479710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54253e+03    1.83843e+04    1.23424e+04    1.16622e+03   -3.09174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53197e+03    1.04517e+05    2.79292e+05   -1.71915e+04   -2.15346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19103e+04   -1.73405e+06    3.46346e+05   -1.38771e+06    3.03096e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10832e+02   -2.12046e+02   -9.87311e+00    3.42056e-06

           Step           Time
      239860000   479720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54461e+03    1.82501e+04    1.24145e+04    9.83621e+02   -2.91343e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49783e+03    1.04341e+05    2.83438e+05   -1.72006e+04   -2.15811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20270e+04   -1.73473e+06    3.46518e+05   -1.38821e+06    3.03056e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10987e+02   -2.12270e+02    4.65642e+01    3.37634e-06

           Step           Time
      239865000   479730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53523e+03    1.79341e+04    1.24936e+04    1.09865e+03   -2.85517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52905e+03    1.04848e+05    2.78074e+05   -1.71974e+04   -2.15396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20125e+04   -1.73549e+06    3.47154e+05   -1.38834e+06    3.03585e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11557e+02   -2.12192e+02   -1.10012e+02    3.38531e-06

           Step           Time
      239870000   479740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62426e+03    1.81785e+04    1.23863e+04    1.07671e+03   -2.92280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46313e+03    1.04533e+05    2.81821e+05   -1.71918e+04   -2.15767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20028e+04   -1.73570e+06    3.46651e+05   -1.38905e+06    3.03762e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11106e+02   -2.12053e+02    8.03151e+01    3.41549e-06

           Step           Time
      239875000   479750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65315e+03    1.82944e+04    1.24536e+04    1.03793e+03   -2.87285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60238e+03    1.04303e+05    2.80480e+05   -1.71784e+04   -2.15425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20441e+04   -1.73343e+06    3.47505e+05   -1.38593e+06    3.03506e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11873e+02   -2.11723e+02    3.18440e+01    3.71947e-06

           Step           Time
      239880000   479760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77367e+03    1.84426e+04    1.22054e+04    1.05563e+03   -2.97007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53731e+03    1.04172e+05    2.79815e+05   -1.72136e+04   -2.15411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17448e+04   -1.73455e+06    3.45764e+05   -1.38879e+06    3.04262e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10310e+02   -2.12590e+02    1.54935e+01    3.32566e-06

           Step           Time
      239885000   479770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73393e+03    1.82340e+04    1.25212e+04    1.09080e+03   -2.95884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44772e+03    1.04406e+05    2.80544e+05   -1.71842e+04   -2.15587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19403e+04   -1.73509e+06    3.47342e+05   -1.38775e+06    3.04319e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11726e+02   -2.11867e+02   -7.48564e+01    3.67404e-06

           Step           Time
      239890000   479780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43319e+03    1.83132e+04    1.22487e+04    1.04243e+03   -2.89805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48615e+03    1.04409e+05    2.80813e+05   -1.71818e+04   -2.15513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21222e+04   -1.73434e+06    3.45822e+05   -1.38852e+06    3.04750e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10362e+02   -2.11808e+02   -6.80555e+00    3.46688e-06

           Step           Time
      239895000   479790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49545e+03    1.81949e+04    1.21640e+04    9.93599e+02   -2.95686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41393e+03    1.04708e+05    2.82407e+05   -1.71485e+04   -2.15993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20837e+04   -1.73758e+06    3.45782e+05   -1.39180e+06    3.04918e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10326e+02   -2.10987e+02   -4.12835e+01    3.44943e-06

           Step           Time
      239900000   479800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44275e+03    1.81801e+04    1.22606e+04    1.09398e+03   -2.90728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54981e+03    1.04507e+05    2.81150e+05   -1.71589e+04   -2.15505e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19018e+04   -1.73403e+06    3.47436e+05   -1.38659e+06    3.05339e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11810e+02   -2.11242e+02    4.90337e+01    3.62054e-06

           Step           Time
      239905000   479810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28369e+03    1.80135e+04    1.25099e+04    1.06974e+03   -2.84436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48552e+03    1.04904e+05    2.81795e+05   -1.71736e+04   -2.15865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20418e+04   -1.73656e+06    3.46451e+05   -1.39011e+06    3.05439e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10926e+02   -2.11605e+02    1.42413e+01    3.74605e-06

           Step           Time
      239910000   479820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78515e+03    1.85544e+04    1.25205e+04    1.08511e+03   -2.90901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44629e+03    1.04237e+05    2.81610e+05   -1.71955e+04   -2.15573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20768e+04   -1.73352e+06    3.48007e+05   -1.38551e+06    3.05915e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12323e+02   -2.12145e+02   -8.55367e-01    3.64982e-06

           Step           Time
      239915000   479830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74007e+03    1.85325e+04    1.23009e+04    1.05593e+03   -2.88776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54116e+03    1.04403e+05    2.81171e+05   -1.72111e+04   -2.15517e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18703e+04   -1.73365e+06    3.46100e+05   -1.38755e+06    3.06006e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10611e+02   -2.12528e+02    4.95623e+01    3.64537e-06

           Step           Time
      239920000   479840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69390e+03    1.88687e+04    1.23368e+04    1.06491e+03   -2.81730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42691e+03    1.04420e+05    2.79434e+05   -1.71849e+04   -2.15325e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20639e+04   -1.73294e+06    3.48536e+05   -1.38441e+06    3.06394e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12798e+02   -2.11884e+02   -7.76544e+01    3.61698e-06

           Step           Time
      239925000   479850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55206e+03    1.78176e+04    1.24108e+04    1.09226e+03   -2.99136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44833e+03    1.04410e+05    2.80883e+05   -1.72456e+04   -2.15910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18518e+04   -1.73888e+06    3.46273e+05   -1.39260e+06    3.06211e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10767e+02   -2.13380e+02   -5.50247e+01    3.46558e-06

           Step           Time
      239930000   479860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52884e+03    1.79908e+04    1.23731e+04    1.07062e+03   -2.87108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44326e+03    1.04516e+05    2.81520e+05   -1.72349e+04   -2.16024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18960e+04   -1.73901e+06    3.46083e+05   -1.39292e+06    3.06528e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10596e+02   -2.13117e+02   -3.29401e+00    3.45410e-06

           Step           Time
      239935000   479870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59063e+03    1.83272e+04    1.25921e+04    1.11780e+03   -2.82084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40494e+03    1.04403e+05    2.78041e+05   -1.71750e+04   -2.15162e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21264e+04   -1.73301e+06    3.47875e+05   -1.38514e+06    3.07110e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12204e+02   -2.11641e+02   -1.33333e+02    3.40341e-06

           Step           Time
      239940000   479880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59997e+03    1.82235e+04    1.24718e+04    1.12972e+03   -2.84246e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33918e+03    1.04179e+05    2.78357e+05   -1.71841e+04   -2.15227e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19943e+04   -1.73400e+06    3.46432e+05   -1.38757e+06    3.07240e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10909e+02   -2.11864e+02   -1.65778e+02    3.58770e-06

           Step           Time
      239945000   479890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63820e+03    1.83335e+04    1.24673e+04    1.12043e+03   -3.03393e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39998e+03    1.04747e+05    2.79469e+05   -1.71431e+04   -2.15306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21986e+04   -1.73287e+06    3.47456e+05   -1.38541e+06    3.07634e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11828e+02   -2.10854e+02   -8.10792e+01    3.53617e-06

           Step           Time
      239950000   479900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43775e+03    1.83046e+04    1.25277e+04    1.14108e+03   -2.83371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58890e+03    1.04248e+05    2.80408e+05   -1.71955e+04   -2.15442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20308e+04   -1.73377e+06    3.46730e+05   -1.38704e+06    3.07906e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11177e+02   -2.12145e+02   -2.84745e+00    3.49712e-06

           Step           Time
      239955000   479910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25968e+03    1.81165e+04    1.22903e+04    1.15596e+03   -2.92125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57781e+03    1.04815e+05    2.80825e+05   -1.72414e+04   -2.15783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19307e+04   -1.73702e+06    3.45171e+05   -1.39185e+06    3.08176e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09777e+02   -2.13276e+02    8.15565e+01    3.44787e-06

           Step           Time
      239960000   479920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42368e+03    1.80871e+04    1.24073e+04    1.14543e+03   -2.87121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37964e+03    1.04380e+05    2.80591e+05   -1.71767e+04   -2.15588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20126e+04   -1.73550e+06    3.45877e+05   -1.38962e+06    3.08430e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10411e+02   -2.11682e+02   -1.97983e+01    3.42689e-06

           Step           Time
      239965000   479930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54684e+03    1.80994e+04    1.23184e+04    1.09030e+03   -2.93331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45467e+03    1.04057e+05    2.80442e+05   -1.72207e+04   -2.15602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19269e+04   -1.73624e+06    3.43667e+05   -1.39257e+06    3.09685e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08428e+02   -2.12765e+02    2.59981e+01    3.42183e-06

           Step           Time
      239970000   479940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61922e+03    1.84350e+04    1.24305e+04    1.08835e+03   -3.04803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45657e+03    1.04449e+05    2.80232e+05   -1.71559e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19328e+04   -1.73476e+06    3.47840e+05   -1.38692e+06    3.09309e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12173e+02   -2.11170e+02   -7.03280e+01    3.52485e-06

           Step           Time
      239975000   479950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65356e+03    1.80596e+04    1.24225e+04    9.73319e+02   -2.90448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61694e+03    1.04719e+05    2.81046e+05   -1.71980e+04   -2.15768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18970e+04   -1.73639e+06    3.46732e+05   -1.38966e+06    3.10120e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11179e+02   -2.12205e+02   -2.87301e-01    3.44815e-06

           Step           Time
      239980000   479960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69298e+03    1.78722e+04    1.24070e+04    1.15138e+03   -2.82159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39783e+03    1.04887e+05    2.82978e+05   -1.71796e+04   -2.16014e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19664e+04   -1.73679e+06    3.45611e+05   -1.39117e+06    3.10410e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10173e+02   -2.11754e+02    6.15084e+01    3.37609e-06

           Step           Time
      239985000   479970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45143e+03    1.82038e+04    1.22402e+04    9.90920e+02   -2.86534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38841e+03    1.04673e+05    2.79224e+05   -1.71465e+04   -2.15302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19265e+04   -1.73393e+06    3.47524e+05   -1.38641e+06    3.09918e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11890e+02   -2.10939e+02   -6.35521e+01    3.41177e-06

           Step           Time
      239990000   479980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21461e+03    1.79064e+04    1.23401e+04    1.13425e+03   -2.85917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62190e+03    1.04835e+05    2.78356e+05   -1.71733e+04   -2.15595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18746e+04   -1.73770e+06    3.47307e+05   -1.39040e+06    3.10526e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11695e+02   -2.11597e+02   -9.90330e+01    3.64057e-06

           Step           Time
      239995000   479990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58835e+03    1.81637e+04    1.24490e+04    1.07960e+03   -2.89135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35115e+03    1.04913e+05    2.79254e+05   -1.71990e+04   -2.15433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19794e+04   -1.73465e+06    3.47359e+05   -1.38729e+06    3.10648e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11741e+02   -2.12230e+02   -8.02894e+01    3.37910e-06

           Step           Time
      240000000   480000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38708e+03    1.79575e+04    1.22958e+04    1.03082e+03   -2.92302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49116e+03    1.05089e+05    2.80738e+05   -1.71430e+04   -2.15630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19618e+04   -1.73541e+06    3.46968e+05   -1.38844e+06    3.10935e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11390e+02   -2.10853e+02   -3.95119e+01    3.48970e-06

           Step           Time
      240005000   480010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46864e+03    1.82398e+04    1.23465e+04    1.05795e+03   -2.82393e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37257e+03    1.04927e+05    2.79495e+05   -1.71729e+04   -2.15610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20574e+04   -1.73613e+06    3.48083e+05   -1.38805e+06    3.11510e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12391e+02   -2.11587e+02   -1.29988e+02    3.45770e-06

           Step           Time
      240010000   480020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45768e+03    1.82236e+04    1.25305e+04    1.05275e+03   -2.93876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40897e+03    1.04741e+05    2.79316e+05   -1.71598e+04   -2.15504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20262e+04   -1.73538e+06    3.47708e+05   -1.38767e+06    3.11770e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12054e+02   -2.11264e+02   -9.90392e+01    3.43831e-06

           Step           Time
      240015000   480030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50071e+03    1.83557e+04    1.23721e+04    1.02306e+03   -2.89179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47509e+03    1.04484e+05    2.77565e+05   -1.71960e+04   -2.15360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20588e+04   -1.73585e+06    3.47605e+05   -1.38825e+06    3.12174e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11962e+02   -2.12156e+02   -1.03721e+02    3.47398e-06

           Step           Time
      240020000   480040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45891e+03    1.82454e+04    1.23402e+04    1.02563e+03   -2.91674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49893e+03    1.04612e+05    2.80892e+05   -1.71955e+04   -2.15642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19833e+04   -1.73548e+06    3.47189e+05   -1.38829e+06    3.12568e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11588e+02   -2.12145e+02   -1.36144e+01    3.71842e-06

           Step           Time
      240025000   480050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43465e+03    1.86455e+04    1.24636e+04    1.10886e+03   -2.91806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37971e+03    1.04691e+05    2.80058e+05   -1.72231e+04   -2.15320e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19539e+04   -1.73260e+06    3.46977e+05   -1.38563e+06    3.13164e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11398e+02   -2.12826e+02   -3.43710e+00    3.37291e-06

Writing checkpoint, step 240026700 at Sat Dec  2 01:23:07 2023


           Step           Time
      240030000   480060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20140e+03    1.79973e+04    1.25151e+04    1.12122e+03   -2.88614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53241e+03    1.04673e+05    2.81587e+05   -1.72061e+04   -2.15777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18891e+04   -1.73635e+06    3.46381e+05   -1.38997e+06    3.13122e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10864e+02   -2.12406e+02    1.05099e+02    3.35326e-06

           Step           Time
      240035000   480070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.10060e+03    1.88414e+04    1.23567e+04    1.08608e+03   -2.87297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59739e+03    1.03939e+05    2.81675e+05   -1.71846e+04   -2.15694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19796e+04   -1.73543e+06    3.47704e+05   -1.38772e+06    3.13295e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12051e+02   -2.11877e+02    1.18623e+02    3.60662e-06

           Step           Time
      240040000   480080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61647e+03    1.82341e+04    1.24482e+04    1.06055e+03   -2.93595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50561e+03    1.04402e+05    2.82280e+05   -1.71956e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20269e+04   -1.73480e+06    3.47694e+05   -1.38711e+06    3.13740e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12042e+02   -2.12147e+02    8.65888e+01    3.62822e-06

           Step           Time
      240045000   480090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58564e+03    1.81410e+04    1.23692e+04    1.07890e+03   -2.88783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48090e+03    1.04516e+05    2.80732e+05   -1.72338e+04   -2.15785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19023e+04   -1.73717e+06    3.45377e+05   -1.39179e+06    3.14218e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09962e+02   -2.13090e+02   -1.95018e+01    3.39885e-06

           Step           Time
      240050000   480100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47039e+03    1.81285e+04    1.23305e+04    1.07596e+03   -2.87618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56976e+03    1.04408e+05    2.79574e+05   -1.71923e+04   -2.15294e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20935e+04   -1.73335e+06    3.47137e+05   -1.38622e+06    3.13942e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11542e+02   -2.12065e+02    8.56038e+00    3.60520e-06

           Step           Time
      240055000   480110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65648e+03    1.78344e+04    1.23728e+04    1.12274e+03   -2.88450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50073e+03    1.04036e+05    2.79660e+05   -1.71609e+04   -2.15440e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19147e+04   -1.73534e+06    3.46209e+05   -1.38913e+06    3.14306e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10709e+02   -2.11293e+02   -1.01177e+02    3.30061e-06

           Step           Time
      240060000   480120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31791e+03    1.86117e+04    1.24046e+04    1.10676e+03   -2.95414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54256e+03    1.04315e+05    2.81840e+05   -1.71870e+04   -2.15662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21163e+04   -1.73451e+06    3.47695e+05   -1.38681e+06    3.14568e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12043e+02   -2.11934e+02    6.25563e+01    3.52325e-06

           Step           Time
      240065000   480130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55812e+03    1.79652e+04    1.24994e+04    1.11231e+03   -2.95974e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58617e+03    1.04601e+05    2.78652e+05   -1.71608e+04   -2.15184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20301e+04   -1.73296e+06    3.44936e+05   -1.38802e+06    3.15074e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09567e+02   -2.11290e+02   -1.14665e+02    3.45532e-06

           Step           Time
      240070000   480140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57218e+03    1.83226e+04    1.23693e+04    1.08494e+03   -3.00480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43976e+03    1.04117e+05    2.81684e+05   -1.72013e+04   -2.15583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20419e+04   -1.73440e+06    3.47128e+05   -1.38727e+06    3.15284e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11534e+02   -2.12286e+02    4.95074e+01    3.54386e-06

           Step           Time
      240075000   480150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51839e+03    1.86674e+04    1.23848e+04    1.04026e+03   -3.02837e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54158e+03    1.04174e+05    2.80964e+05   -1.71662e+04   -2.15347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21593e+04   -1.73222e+06    3.45811e+05   -1.38641e+06    3.15748e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10351e+02   -2.11423e+02    2.83422e+01    3.54097e-06

           Step           Time
      240080000   480160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58518e+03    1.83550e+04    1.25285e+04    1.08536e+03   -2.97431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38778e+03    1.04414e+05    2.81873e+05   -1.72005e+04   -2.15797e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18863e+04   -1.73603e+06    3.46731e+05   -1.38930e+06    3.15875e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11178e+02   -2.12269e+02    1.84116e+01    3.62695e-06

           Step           Time
      240085000   480170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59880e+03    1.84708e+04    1.22306e+04    9.88547e+02   -2.89793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43450e+03    1.04365e+05    2.81436e+05   -1.72195e+04   -2.15741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18630e+04   -1.73614e+06    3.45704e+05   -1.39044e+06    3.16209e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10256e+02   -2.12737e+02   -4.73337e+00    3.49303e-06

           Step           Time
      240090000   480180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40878e+03    1.78572e+04    1.24355e+04    1.10763e+03   -2.78917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51963e+03    1.04637e+05    2.77877e+05   -1.71856e+04   -2.15334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21919e+04   -1.73528e+06    3.46171e+05   -1.38911e+06    3.16290e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10675e+02   -2.11901e+02   -1.13159e+02    3.36070e-06

           Step           Time
      240095000   480190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51431e+03    1.85258e+04    1.25008e+04    1.02923e+03   -2.93106e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54690e+03    1.04114e+05    2.80587e+05   -1.72065e+04   -2.15618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18179e+04   -1.73568e+06    3.46917e+05   -1.38877e+06    3.16679e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11345e+02   -2.12416e+02    5.89496e+01    3.39251e-06

           Step           Time
      240100000   480200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59714e+03    1.83127e+04    1.25612e+04    1.08713e+03   -2.86414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37751e+03    1.04229e+05    2.82530e+05   -1.72096e+04   -2.15958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19496e+04   -1.73701e+06    3.46268e+05   -1.39074e+06    3.16944e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10762e+02   -2.12491e+02    4.72796e+01    3.33113e-06

           Step           Time
      240105000   480210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58381e+03    1.82710e+04    1.24594e+04    1.08276e+03   -2.90934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47482e+03    1.04410e+05    2.77637e+05   -1.71849e+04   -2.15131e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20720e+04   -1.73341e+06    3.47649e+05   -1.38577e+06    3.16838e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12001e+02   -2.11884e+02   -1.20986e+02    3.32477e-06

           Step           Time
      240110000   480220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53442e+03    1.86092e+04    1.24689e+04    1.08651e+03   -2.96942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47432e+03    1.04472e+05    2.78811e+05   -1.71584e+04   -2.15376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18845e+04   -1.73455e+06    3.45254e+05   -1.38929e+06    3.17382e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09852e+02   -2.11231e+02   -1.05879e+02    3.38412e-06

           Step           Time
      240115000   480230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34125e+03    1.82325e+04    1.22776e+04    1.07675e+03   -2.80397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41628e+03    1.04586e+05    2.81675e+05   -1.72410e+04   -2.15843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20447e+04   -1.73683e+06    3.47352e+05   -1.38947e+06    3.17496e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11735e+02   -2.13268e+02    2.93251e+01    3.44440e-06

           Step           Time
      240120000   480240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.15177e+03    1.79361e+04    1.23096e+04    1.10137e+03   -2.89870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48594e+03    1.04271e+05    2.82119e+05   -1.71850e+04   -2.15693e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21827e+04   -1.73546e+06    3.44762e+05   -1.39069e+06    3.17388e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09411e+02   -2.11886e+02    6.60878e+01    3.58805e-06

           Step           Time
      240125000   480250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63293e+03    1.80909e+04    1.24378e+04    1.07025e+03   -2.95547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36954e+03    1.04568e+05    2.77564e+05   -1.71771e+04   -2.15309e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20326e+04   -1.73546e+06    3.45338e+05   -1.39012e+06    3.18099e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09928e+02   -2.11691e+02   -1.78672e+02    3.47996e-06

           Step           Time
      240130000   480260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47304e+03    1.81395e+04    1.23465e+04    1.05653e+03   -2.87367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39722e+03    1.04900e+05    2.80037e+05   -1.71889e+04   -2.15562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21453e+04   -1.73518e+06    3.47020e+05   -1.38816e+06    3.18484e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11437e+02   -2.11981e+02   -5.33089e+01    3.40030e-06

           Step           Time
      240135000   480270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37153e+03    1.83655e+04    1.24533e+04    1.07040e+03   -2.97589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54316e+03    1.04622e+05    2.79821e+05   -1.71662e+04   -2.15598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19127e+04   -1.73596e+06    3.46626e+05   -1.38934e+06    3.18736e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11083e+02   -2.11422e+02   -9.05566e+01    3.37331e-06

           Step           Time
      240140000   480280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26332e+03    1.82757e+04    1.24209e+04    1.08768e+03   -2.85625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50034e+03    1.04998e+05    2.80341e+05   -1.72087e+04   -2.15544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20955e+04   -1.73452e+06    3.48057e+05   -1.38647e+06    3.18966e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12368e+02   -2.12469e+02    1.32776e+01    3.55594e-06

           Step           Time
      240145000   480290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54990e+03    1.81959e+04    1.24416e+04    1.05293e+03   -2.98985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59255e+03    1.04906e+05    2.81249e+05   -1.71969e+04   -2.15772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20042e+04   -1.73592e+06    3.46081e+05   -1.38984e+06    3.19824e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10594e+02   -2.12179e+02    1.08589e+01    3.44817e-06

           Step           Time
      240150000   480300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39932e+03    1.78855e+04    1.21082e+04    1.09304e+03   -2.87803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47274e+03    1.04967e+05    2.78991e+05   -1.71465e+04   -2.15218e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20098e+04   -1.73328e+06    3.45478e+05   -1.38780e+06    3.19686e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10053e+02   -2.10939e+02   -4.82591e+01    3.58856e-06

           Step           Time
      240155000   480310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79541e+03    1.82210e+04    1.23338e+04    1.17938e+03   -2.99319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42761e+03    1.04618e+05    2.81527e+05   -1.72254e+04   -2.15769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18931e+04   -1.73591e+06    3.47020e+05   -1.38889e+06    3.19955e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11437e+02   -2.12882e+02    4.04841e+01    3.46772e-06

           Step           Time
      240160000   480320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37280e+03    1.86385e+04    1.22940e+04    1.11486e+03   -2.77634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49226e+03    1.04559e+05    2.81756e+05   -1.71701e+04   -2.15668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19818e+04   -1.73442e+06    3.48659e+05   -1.38576e+06    3.20265e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12908e+02   -2.11519e+02    7.17080e+01    3.57217e-06

           Step           Time
      240165000   480330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38588e+03    1.81405e+04    1.25273e+04    1.07703e+03   -3.01961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40749e+03    1.04572e+05    2.80390e+05   -1.71506e+04   -2.15492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19309e+04   -1.73466e+06    3.46344e+05   -1.38831e+06    3.20271e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10831e+02   -2.11039e+02   -1.79167e+01    3.49229e-06

           Step           Time
      240170000   480340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60729e+03    1.84187e+04    1.24934e+04    1.07351e+03   -2.93815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43103e+03    1.04608e+05    2.82028e+05   -1.71982e+04   -2.15557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19590e+04   -1.73309e+06    3.45889e+05   -1.38720e+06    3.21046e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10422e+02   -2.12210e+02    8.15540e+01    3.72029e-06

           Step           Time
      240175000   480350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44857e+03    1.83503e+04    1.23033e+04    1.04992e+03   -2.87284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52867e+03    1.04224e+05    2.80083e+05   -1.71922e+04   -2.15343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19983e+04   -1.73350e+06    3.46713e+05   -1.38679e+06    3.21004e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11161e+02   -2.12062e+02   -1.35857e+01    3.59086e-06

           Step           Time
      240180000   480360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53307e+03    1.84474e+04    1.23565e+04    1.02855e+03   -2.89995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44726e+03    1.04245e+05    2.81605e+05   -1.72102e+04   -2.15909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19425e+04   -1.73760e+06    3.46880e+05   -1.39072e+06    3.21248e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11311e+02   -2.12506e+02    3.05156e+01    3.33299e-06

           Step           Time
      240185000   480370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29420e+03    1.81715e+04    1.24153e+04    1.11222e+03   -2.89424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50289e+03    1.04719e+05    2.80280e+05   -1.71621e+04   -2.15379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19072e+04   -1.73344e+06    3.47154e+05   -1.38629e+06    3.21572e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11557e+02   -2.11321e+02   -2.00295e+01    3.58543e-06

           Step           Time
      240190000   480380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64978e+03    1.86035e+04    1.23725e+04    1.10977e+03   -2.93016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50026e+03    1.04029e+05    2.80598e+05   -1.72232e+04   -2.15412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21150e+04   -1.73329e+06    3.46701e+05   -1.38659e+06    3.22424e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11151e+02   -2.12826e+02    1.50085e+01    3.55130e-06

           Step           Time
      240195000   480390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76924e+03    1.83100e+04    1.22700e+04    1.08575e+03   -2.93829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43915e+03    1.04431e+05    2.81855e+05   -1.72149e+04   -2.15771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20389e+04   -1.73566e+06    3.46419e+05   -1.38924e+06    3.22720e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10898e+02   -2.12623e+02   -1.78281e+01    3.45246e-06

           Step           Time
      240200000   480400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78034e+03    1.80957e+04    1.23659e+04    1.13532e+03   -2.79394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42017e+03    1.04527e+05    2.82492e+05   -1.71946e+04   -2.15892e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18971e+04   -1.73619e+06    3.45625e+05   -1.39057e+06    3.22956e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10185e+02   -2.12122e+02    1.59856e+01    3.49632e-06

           Step           Time
      240205000   480410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42301e+03    1.82815e+04    1.22993e+04    1.05257e+03   -2.86267e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52791e+03    1.04539e+05    2.82131e+05   -1.71653e+04   -2.15611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20071e+04   -1.73388e+06    3.44557e+05   -1.38932e+06    3.23234e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09226e+02   -2.11401e+02    2.43540e+01    3.54963e-06

           Step           Time
      240210000   480420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59305e+03    1.82497e+04    1.23984e+04    1.11669e+03   -2.84161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55928e+03    1.04547e+05    2.78965e+05   -1.71695e+04   -2.15437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20928e+04   -1.73486e+06    3.46646e+05   -1.38821e+06    3.23490e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11101e+02   -2.11503e+02   -1.21922e+02    3.57552e-06

           Step           Time
      240215000   480430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57904e+03    1.81699e+04    1.21855e+04    1.05832e+03   -2.79014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49912e+03    1.04744e+05    2.79813e+05   -1.71932e+04   -2.15665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18737e+04   -1.73671e+06    3.46223e+05   -1.39048e+06    3.23086e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10722e+02   -2.12089e+02   -4.93835e+01    3.47361e-06

           Step           Time
      240220000   480440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41509e+03    1.81274e+04    1.24200e+04    1.13014e+03   -2.92759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41835e+03    1.05158e+05    2.81677e+05   -1.72244e+04   -2.16059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18461e+04   -1.73855e+06    3.47209e+05   -1.39134e+06    3.23818e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11606e+02   -2.12858e+02   -1.75882e+01    3.48676e-06

           Step           Time
      240225000   480450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42473e+03    1.84205e+04    1.22957e+04    1.05673e+03   -2.89016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49252e+03    1.04926e+05    2.79486e+05   -1.71815e+04   -2.15443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19777e+04   -1.73442e+06    3.47017e+05   -1.38740e+06    3.23934e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11435e+02   -2.11800e+02   -5.07234e+01    3.49769e-06

           Step           Time
      240230000   480460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37929e+03    1.82316e+04    1.24959e+04    1.06303e+03   -2.83534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46567e+03    1.04597e+05    2.79038e+05   -1.71383e+04   -2.15338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21341e+04   -1.73395e+06    3.46373e+05   -1.38758e+06    3.23938e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10857e+02   -2.10736e+02   -9.25787e+01    3.56528e-06

           Step           Time
      240235000   480470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39677e+03    1.79983e+04    1.22447e+04    1.02199e+03   -2.86412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57229e+03    1.04437e+05    2.82675e+05   -1.71787e+04   -2.15827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19894e+04   -1.73598e+06    3.47408e+05   -1.38857e+06    3.24522e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11785e+02   -2.11731e+02    9.83176e+01    3.58773e-06

           Step           Time
      240240000   480480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52070e+03    1.83161e+04    1.23757e+04    1.11253e+03   -2.92138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46606e+03    1.04710e+05    2.80518e+05   -1.72130e+04   -2.15562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19872e+04   -1.73474e+06    3.46114e+05   -1.38863e+06    3.25085e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10624e+02   -2.12576e+02    8.85529e-01    3.47449e-06

           Step           Time
      240245000   480490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35478e+03    1.82931e+04    1.23928e+04    1.12391e+03   -2.76901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45501e+03    1.04306e+05    2.80748e+05   -1.72132e+04   -2.15666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19230e+04   -1.73605e+06    3.45263e+05   -1.39078e+06    3.25099e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09860e+02   -2.12582e+02    4.47725e+01    3.63896e-06

           Step           Time
      240250000   480500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59165e+03    1.84274e+04    1.23551e+04    1.03762e+03   -2.86396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42036e+03    1.03930e+05    2.81727e+05   -1.72387e+04   -2.15703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19855e+04   -1.73566e+06    3.46665e+05   -1.38900e+06    3.25339e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11119e+02   -2.13211e+02    9.55695e+01    3.44178e-06

           Step           Time
      240255000   480510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61964e+03    1.81950e+04    1.24923e+04    9.72511e+02   -2.90042e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50839e+03    1.04010e+05    2.81280e+05   -1.71803e+04   -2.15661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21284e+04   -1.73549e+06    3.47158e+05   -1.38833e+06    3.25690e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11561e+02   -2.11770e+02   -3.38061e+01    3.68885e-06

           Step           Time
      240260000   480520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87493e+03    1.87525e+04    1.21969e+04    1.06109e+03   -2.85101e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34240e+03    1.03911e+05    2.83068e+05   -1.71923e+04   -2.15504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20842e+04   -1.73179e+06    3.46253e+05   -1.38554e+06    3.26355e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10748e+02   -2.12065e+02    1.28463e+02    3.63857e-06

           Step           Time
      240265000   480530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63370e+03    1.81881e+04    1.24452e+04    1.09067e+03   -2.91955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44788e+03    1.04548e+05    2.81823e+05   -1.72314e+04   -2.15843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19839e+04   -1.73642e+06    3.46971e+05   -1.38945e+06    3.26439e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11393e+02   -2.13029e+02    3.32757e+01    3.43547e-06

           Step           Time
      240270000   480540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56202e+03    1.82882e+04    1.23461e+04    1.07108e+03   -2.75233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51644e+03    1.04608e+05    2.79612e+05   -1.71935e+04   -2.15368e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19398e+04   -1.73369e+06    3.47233e+05   -1.38645e+06    3.26552e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11628e+02   -2.12094e+02   -1.03781e+01    3.70999e-06

           Step           Time
      240275000   480550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38976e+03    1.78711e+04    1.26348e+04    1.08462e+03   -2.79020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56026e+03    1.04414e+05    2.79705e+05   -1.71996e+04   -2.15491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20404e+04   -1.73520e+06    3.46037e+05   -1.38916e+06    3.26844e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10555e+02   -2.12246e+02   -3.40533e+00    3.71347e-06

           Step           Time
      240280000   480560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54771e+03    1.80864e+04    1.23583e+04    1.07054e+03   -2.94908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58044e+03    1.03716e+05    2.80152e+05   -1.71522e+04   -2.15384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20599e+04   -1.73437e+06    3.46748e+05   -1.38762e+06    3.27064e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11193e+02   -2.11077e+02   -5.67536e+01    3.47425e-06

           Step           Time
      240285000   480570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45091e+03    1.79952e+04    1.24300e+04    1.11636e+03   -2.90263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45724e+03    1.04319e+05    2.82332e+05   -1.72253e+04   -2.15768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18597e+04   -1.73585e+06    3.46207e+05   -1.38964e+06    3.27495e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10707e+02   -2.12879e+02    8.18473e+01    3.54473e-06

           Step           Time
      240290000   480580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28057e+03    1.82547e+04    1.25215e+04    1.17505e+03   -2.90449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57899e+03    1.04029e+05    2.78036e+05   -1.72139e+04   -2.15147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20695e+04   -1.73365e+06    3.48305e+05   -1.38534e+06    3.27426e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12591e+02   -2.12597e+02   -3.43902e+01    3.67748e-06

           Step           Time
      240295000   480590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41786e+03    1.85247e+04    1.23867e+04    1.02450e+03   -2.95726e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57881e+03    1.04070e+05    2.79472e+05   -1.72229e+04   -2.15485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20045e+04   -1.73555e+06    3.46072e+05   -1.38947e+06    3.28105e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10586e+02   -2.12820e+02    2.50186e+01    3.56571e-06

           Step           Time
      240300000   480600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26062e+03    1.83074e+04    1.22603e+04    1.08337e+03   -2.89355e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44215e+03    1.04511e+05    2.80343e+05   -1.72569e+04   -2.15833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20155e+04   -1.73825e+06    3.46966e+05   -1.39129e+06    3.28326e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11388e+02   -2.13659e+02   -4.16373e+01    3.46792e-06

           Step           Time
      240305000   480610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72453e+03    1.77328e+04    1.22931e+04    1.09939e+03   -2.90987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57864e+03    1.04349e+05    2.81195e+05   -1.71802e+04   -2.15609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19778e+04   -1.73523e+06    3.46690e+05   -1.38854e+06    3.28341e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11141e+02   -2.11769e+02    4.44577e+01    3.49352e-06

           Step           Time
      240310000   480620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33382e+03    1.79261e+04    1.25175e+04    1.11040e+03   -2.96168e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57793e+03    1.04195e+05    2.80854e+05   -1.71945e+04   -2.15596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20865e+04   -1.73552e+06    3.47451e+05   -1.38807e+06    3.28399e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11824e+02   -2.12119e+02    3.72276e+01    3.69513e-06

           Step           Time
      240315000   480630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27175e+03    1.83165e+04    1.26399e+04    1.07769e+03   -2.99760e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40605e+03    1.04422e+05    2.81452e+05   -1.71082e+04   -2.15670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21197e+04   -1.73510e+06    3.45543e+05   -1.38955e+06    3.29024e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10112e+02   -2.09998e+02   -3.80485e+01    3.64618e-06

           Step           Time
      240320000   480640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44890e+03    1.82218e+04    1.25573e+04    1.10747e+03   -2.91339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65873e+03    1.04184e+05    2.79219e+05   -1.71936e+04   -2.15280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18780e+04   -1.73363e+06    3.47382e+05   -1.38624e+06    3.29569e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11762e+02   -2.12099e+02    1.29604e+01    3.56882e-06

           Step           Time
      240325000   480650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52165e+03    1.87232e+04    1.24595e+04    1.16290e+03   -2.87186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42834e+03    1.04071e+05    2.78421e+05   -1.71273e+04   -2.15091e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19253e+04   -1.73220e+06    3.47818e+05   -1.38438e+06    3.30055e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12153e+02   -2.10468e+02   -1.25714e+02    3.58301e-06

           Step           Time
      240330000   480660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56278e+03    1.78535e+04    1.22793e+04    1.04902e+03   -2.76664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40545e+03    1.04578e+05    2.80300e+05   -1.71798e+04   -2.15533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19847e+04   -1.73526e+06    3.46347e+05   -1.38891e+06    3.29899e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10833e+02   -2.11759e+02   -5.23336e+01    3.57174e-06

           Step           Time
      240335000   480670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67431e+03    1.80831e+04    1.23447e+04    1.12058e+03   -2.87632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45415e+03    1.03977e+05    2.77737e+05   -1.71688e+04   -2.14997e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21240e+04   -1.73250e+06    3.46282e+05   -1.38622e+06    3.30001e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10775e+02   -2.11487e+02   -1.68250e+02    3.73071e-06

           Step           Time
      240340000   480680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38269e+03    1.82001e+04    1.25415e+04    1.05679e+03   -2.93930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51752e+03    1.04291e+05    2.79942e+05   -1.71891e+04   -2.15603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19022e+04   -1.73632e+06    3.45044e+05   -1.39128e+06    3.30739e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09663e+02   -2.11986e+02   -5.59853e+00    3.66671e-06

           Step           Time
      240345000   480690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43898e+03    1.83024e+04    1.23708e+04    1.03890e+03   -2.84311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46046e+03    1.04620e+05    2.81113e+05   -1.71761e+04   -2.15683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19021e+04   -1.73560e+06    3.46650e+05   -1.38895e+06    3.31210e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11105e+02   -2.11666e+02    3.10528e+01    3.48379e-06

           Step           Time
      240350000   480700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46655e+03    1.83200e+04    1.23495e+04    1.13504e+03   -2.81720e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46895e+03    1.04365e+05    2.77934e+05   -1.71702e+04   -2.15099e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21320e+04   -1.73280e+06    3.46387e+05   -1.38641e+06    3.31666e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10869e+02   -2.11521e+02   -1.32568e+02    3.49811e-06

           Step           Time
      240355000   480710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51628e+03    1.84318e+04    1.22927e+04    1.08716e+03   -2.83723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56851e+03    1.04181e+05    2.81508e+05   -1.71877e+04   -2.15660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21064e+04   -1.73493e+06    3.46748e+05   -1.38819e+06    3.32279e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11193e+02   -2.11952e+02    4.82824e+01    3.55851e-06

           Step           Time
      240360000   480720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47812e+03    1.83945e+04    1.24347e+04    1.06582e+03   -2.87111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44222e+03    1.04927e+05    2.82093e+05   -1.72210e+04   -2.15904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18274e+04   -1.73647e+06    3.46746e+05   -1.38973e+06    3.32446e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11191e+02   -2.12774e+02    2.90141e+01    3.50299e-06

           Step           Time
      240365000   480730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56821e+03    1.82933e+04    1.24395e+04    1.02637e+03   -2.82532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44634e+03    1.04256e+05    2.78872e+05   -1.71900e+04   -2.15182e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22050e+04   -1.73273e+06    3.45865e+05   -1.38687e+06    3.32529e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10400e+02   -2.12009e+02   -9.57674e+01    3.52309e-06

           Step           Time
      240370000   480740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57073e+03    1.79885e+04    1.22416e+04    1.10710e+03   -2.74498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44997e+03    1.04732e+05    2.80266e+05   -1.72041e+04   -2.15639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17622e+04   -1.73623e+06    3.48345e+05   -1.38788e+06    3.32458e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12626e+02   -2.12356e+02   -1.25165e+01    3.71038e-06

           Step           Time
      240375000   480750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52427e+03    1.80357e+04    1.24269e+04    1.08994e+03   -2.85593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46756e+03    1.04440e+05    2.81502e+05   -1.71643e+04   -2.15866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18923e+04   -1.73730e+06    3.47280e+05   -1.39002e+06    3.32870e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11671e+02   -2.11376e+02   -8.86592e+01    3.49653e-06

           Step           Time
      240380000   480760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45347e+03    1.83312e+04    1.25964e+04    1.08354e+03   -2.76966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47604e+03    1.04889e+05    2.79294e+05   -1.72060e+04   -2.15431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19736e+04   -1.73419e+06    3.47397e+05   -1.38679e+06    3.33255e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11776e+02   -2.12403e+02   -3.85314e+01    3.51575e-06

           Step           Time
      240385000   480770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49179e+03    1.84726e+04    1.23593e+04    1.05712e+03   -2.89935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55431e+03    1.04189e+05    2.83570e+05   -1.71738e+04   -2.16022e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19970e+04   -1.73660e+06    3.46597e+05   -1.39000e+06    3.33795e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11057e+02   -2.11610e+02    5.68089e+01    3.54982e-06

           Step           Time
      240390000   480780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46656e+03    1.83134e+04    1.25173e+04    1.17151e+03   -2.79662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51928e+03    1.04303e+05    2.80152e+05   -1.71573e+04   -2.15426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22256e+04   -1.73354e+06    3.47898e+05   -1.38565e+06    3.33551e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12225e+02   -2.11203e+02   -4.22177e+01    3.59226e-06

           Step           Time
      240395000   480790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45933e+03    1.83838e+04    1.23099e+04    1.04109e+03   -2.98578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44050e+03    1.04549e+05    2.81491e+05   -1.72181e+04   -2.15722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19612e+04   -1.73579e+06    3.46994e+05   -1.38879e+06    3.33921e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11414e+02   -2.12701e+02    2.99474e+01    3.60612e-06

           Step           Time
      240400000   480800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56459e+03    1.80510e+04    1.25714e+04    1.11156e+03   -2.99973e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53915e+03    1.04214e+05    2.81130e+05   -1.71941e+04   -2.15719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20131e+04   -1.73619e+06    3.45939e+05   -1.39025e+06    3.34662e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10467e+02   -2.12109e+02    3.76425e+01    3.55805e-06

           Step           Time
      240405000   480810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66408e+03    1.82850e+04    1.23348e+04    1.10051e+03   -2.95264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42267e+03    1.04259e+05    2.80472e+05   -1.71730e+04   -2.15504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21193e+04   -1.73450e+06    3.45481e+05   -1.38902e+06    3.35369e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10056e+02   -2.11590e+02   -3.54997e+01    3.68808e-06

           Step           Time
      240410000   480820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23658e+03    1.83219e+04    1.23639e+04    1.11955e+03   -2.90760e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43149e+03    1.04361e+05    2.83392e+05   -1.72392e+04   -2.16053e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18818e+04   -1.73756e+06    3.47111e+05   -1.39045e+06    3.34971e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11519e+02   -2.13222e+02    1.24268e+02    3.50393e-06

           Step           Time
      240415000   480830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71211e+03    1.79864e+04    1.23903e+04    1.07330e+03   -2.94231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56343e+03    1.03925e+05    2.79942e+05   -1.71660e+04   -2.15338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20431e+04   -1.73385e+06    3.45334e+05   -1.38851e+06    3.35146e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09924e+02   -2.11418e+02   -1.35987e+01    3.63938e-06

           Step           Time
      240420000   480840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69358e+03    1.80470e+04    1.22515e+04    1.08300e+03   -2.82873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57309e+03    1.04706e+05    2.81626e+05   -1.71616e+04   -2.15733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21514e+04   -1.73519e+06    3.47317e+05   -1.38788e+06    3.35911e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11703e+02   -2.11309e+02   -6.70004e+01    3.42299e-06

           Step           Time
      240425000   480850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61866e+03    1.79659e+04    1.25323e+04    1.07106e+03   -2.89402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56208e+03    1.04269e+05    2.83513e+05   -1.72111e+04   -2.15861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21422e+04   -1.73505e+06    3.46209e+05   -1.38884e+06    3.35894e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10709e+02   -2.12530e+02    1.14998e+02    3.43218e-06

           Step           Time
      240430000   480860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30062e+03    1.83545e+04    1.22512e+04    1.10836e+03   -2.84941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50748e+03    1.04463e+05    2.80839e+05   -1.72040e+04   -2.15588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20405e+04   -1.73507e+06    3.46762e+05   -1.38831e+06    3.36038e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11205e+02   -2.12355e+02    3.81779e+01    3.57307e-06

           Step           Time
      240435000   480870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81038e+03    1.81074e+04    1.23451e+04    1.11210e+03   -2.92573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51918e+03    1.04549e+05    2.80559e+05   -1.71724e+04   -2.15640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20105e+04   -1.73548e+06    3.46632e+05   -1.38885e+06    3.37010e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11089e+02   -2.11575e+02   -3.45174e+01    3.44852e-06

           Step           Time
      240440000   480880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29371e+03    1.82520e+04    1.23394e+04    1.14192e+03   -2.92084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62041e+03    1.04774e+05    2.81427e+05   -1.71833e+04   -2.15504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19379e+04   -1.73336e+06    3.45999e+05   -1.38736e+06    3.37064e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10521e+02   -2.11845e+02    1.21615e+02    3.59850e-06

           Step           Time
      240445000   480890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34543e+03    1.80428e+04    1.23227e+04    1.02560e+03   -2.97338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41848e+03    1.04170e+05    2.80938e+05   -1.71880e+04   -2.15676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20699e+04   -1.73659e+06    3.44930e+05   -1.39166e+06    3.37172e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09561e+02   -2.11959e+02   -8.18075e+01    3.55158e-06

           Step           Time
      240450000   480900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62760e+03    1.84719e+04    1.24944e+04    1.02496e+03   -2.86220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42433e+03    1.04576e+05    2.79673e+05   -1.71828e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20869e+04   -1.73522e+06    3.46536e+05   -1.38869e+06    3.37561e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11002e+02   -2.11832e+02   -9.44001e+01    3.41232e-06

           Step           Time
      240455000   480910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39319e+03    1.82959e+04    1.22662e+04    1.04286e+03   -2.86168e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51454e+03    1.04279e+05    2.81459e+05   -1.71541e+04   -2.15755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20498e+04   -1.73627e+06    3.47423e+05   -1.38885e+06    3.37450e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11799e+02   -2.11125e+02   -3.13053e+01    3.38364e-06

           Step           Time
      240460000   480920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50031e+03    1.80023e+04    1.23704e+04    1.20621e+03   -2.96924e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45680e+03    1.04657e+05    2.77915e+05   -1.71747e+04   -2.15125e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19279e+04   -1.73336e+06    3.46825e+05   -1.38653e+06    3.37392e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11262e+02   -2.11632e+02   -1.08147e+02    3.52940e-06

           Step           Time
      240465000   480930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42954e+03    1.84037e+04    1.23077e+04    1.01275e+03   -2.80679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60749e+03    1.04053e+05    2.79987e+05   -1.71777e+04   -2.15364e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19883e+04   -1.73383e+06    3.47187e+05   -1.38665e+06    3.37898e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11587e+02   -2.11707e+02    3.13897e+00    3.50226e-06

           Step           Time
      240470000   480940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64233e+03    1.84179e+04    1.25205e+04    1.07538e+03   -2.86986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54315e+03    1.04082e+05    2.80342e+05   -1.71621e+04   -2.15355e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20731e+04   -1.73288e+06    3.46688e+05   -1.38620e+06    3.38536e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11139e+02   -2.11323e+02   -2.47128e+01    3.40273e-06

           Step           Time
      240475000   480950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70657e+03    1.78655e+04    1.23991e+04    1.12510e+03   -2.92199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52518e+03    1.04287e+05    2.81395e+05   -1.71943e+04   -2.15686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19992e+04   -1.73567e+06    3.46721e+05   -1.38895e+06    3.38518e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11169e+02   -2.12116e+02    1.31524e+00    3.58672e-06

           Step           Time
      240480000   480960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52882e+03    1.83593e+04    1.23784e+04    1.12118e+03   -2.81213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42968e+03    1.04406e+05    2.82762e+05   -1.72441e+04   -2.15842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19839e+04   -1.73550e+06    3.47547e+05   -1.38796e+06    3.39326e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11910e+02   -2.13344e+02    3.16921e+01    3.51275e-06

           Step           Time
      240485000   480970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57413e+03    1.80228e+04    1.23415e+04    1.09417e+03   -2.78279e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45616e+03    1.04049e+05    2.82328e+05   -1.71626e+04   -2.15739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18626e+04   -1.73561e+06    3.46948e+05   -1.38866e+06    3.39230e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11372e+02   -2.11335e+02    1.59599e+01    3.64098e-06

           Step           Time
      240490000   480980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75894e+03    1.81075e+04    1.23989e+04    1.08979e+03   -2.84118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36891e+03    1.04207e+05    2.78146e+05   -1.71712e+04   -2.14957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19801e+04   -1.73152e+06    3.47847e+05   -1.38368e+06    3.39824e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12179e+02   -2.11545e+02   -1.42162e+02    3.73338e-06

           Step           Time
      240495000   480990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32845e+03    1.81176e+04    1.24703e+04    1.14179e+03   -2.90557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52954e+03    1.04536e+05    2.80083e+05   -1.71279e+04   -2.15433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20497e+04   -1.73411e+06    3.48689e+05   -1.38542e+06    3.39832e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12935e+02   -2.10481e+02   -4.22160e+01    3.49040e-06

           Step           Time
      240500000   481000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44166e+03    1.85142e+04    1.22612e+04    9.91505e+02   -2.81850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45872e+03    1.04553e+05    2.80837e+05   -1.71852e+04   -2.15837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21526e+04   -1.73716e+06    3.49699e+05   -1.38746e+06    3.40298e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13841e+02   -2.11890e+02   -7.40900e+00    3.62987e-06

           Step           Time
      240505000   481010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54421e+03    1.79525e+04    1.22729e+04    1.05120e+03   -2.97504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47610e+03    1.04556e+05    2.81063e+05   -1.72083e+04   -2.15761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19166e+04   -1.73696e+06    3.44978e+05   -1.39198e+06    3.40569e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09604e+02   -2.12461e+02    1.94743e+01    3.61189e-06

           Step           Time
      240510000   481020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44993e+03    1.82359e+04    1.24796e+04    1.02622e+03   -2.92338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54840e+03    1.04259e+05    2.82844e+05   -1.72212e+04   -2.15697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21235e+04   -1.73415e+06    3.45050e+05   -1.38910e+06    3.41076e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09669e+02   -2.12778e+02    1.50049e+02    3.47609e-06

           Step           Time
      240515000   481030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54339e+03    1.81824e+04    1.25342e+04    1.05972e+03   -2.79116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46366e+03    1.04083e+05    2.81494e+05   -1.72025e+04   -2.15910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20312e+04   -1.73770e+06    3.45714e+05   -1.39199e+06    3.41080e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10265e+02   -2.12317e+02   -6.88942e+00    3.60373e-06

           Step           Time
      240520000   481040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38375e+03    1.83927e+04    1.23486e+04    1.10496e+03   -2.83781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62780e+03    1.04023e+05    2.81443e+05   -1.72285e+04   -2.15693e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19412e+04   -1.73573e+06    3.46416e+05   -1.38932e+06    3.41395e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10895e+02   -2.12958e+02    1.37772e+02    3.71921e-06

           Step           Time
      240525000   481050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49973e+03    1.85351e+04    1.22518e+04    1.02930e+03   -2.83916e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44338e+03    1.03889e+05    2.81346e+05   -1.71591e+04   -2.15486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19305e+04   -1.73393e+06    3.46683e+05   -1.38725e+06    3.41411e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11135e+02   -2.11249e+02   -3.65830e+01    3.44645e-06

           Step           Time
      240530000   481060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42333e+03    1.84043e+04    1.22344e+04    1.03442e+03   -2.76797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34884e+03    1.04364e+05    2.80386e+05   -1.71706e+04   -2.15282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19586e+04   -1.73261e+06    3.46950e+05   -1.38566e+06    3.41610e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11374e+02   -2.11531e+02   -4.50694e+01    3.64988e-06

           Step           Time
      240535000   481070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59692e+03    1.79428e+04    1.23357e+04    1.13770e+03   -2.75426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43843e+03    1.03895e+05    2.81447e+05   -1.72123e+04   -2.15609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18909e+04   -1.73537e+06    3.45967e+05   -1.38940e+06    3.41848e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10492e+02   -2.12559e+02   -2.76967e+00    3.54086e-06

           Step           Time
      240540000   481080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68047e+03    1.83279e+04    1.23675e+04    1.02585e+03   -2.94328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47164e+03    1.04310e+05    2.80833e+05   -1.71984e+04   -2.15486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19614e+04   -1.73402e+06    3.47219e+05   -1.38680e+06    3.42225e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11616e+02   -2.12216e+02    4.95244e+01    3.71832e-06

           Step           Time
      240545000   481090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46120e+03    1.83614e+04    1.24282e+04    1.04647e+03   -2.92668e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51521e+03    1.04054e+05    2.79169e+05   -1.71877e+04   -2.15673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20393e+04   -1.73777e+06    3.47878e+05   -1.38989e+06    3.42548e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12207e+02   -2.11952e+02   -2.53542e+00    3.52977e-06

           Step           Time
      240550000   481100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47557e+03    1.83594e+04    1.25674e+04    1.10764e+03   -2.99028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48287e+03    1.03832e+05    2.80779e+05   -1.72245e+04   -2.15449e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17644e+04   -1.73433e+06    3.46334e+05   -1.38800e+06    3.42930e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10821e+02   -2.12859e+02    5.79868e+01    3.65861e-06

           Step           Time
      240555000   481110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49352e+03    1.85270e+04    1.22573e+04    1.08102e+03   -2.93118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47409e+03    1.04050e+05    2.80589e+05   -1.71839e+04   -2.15397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23046e+04   -1.73331e+06    3.46549e+05   -1.38676e+06    3.43155e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11014e+02   -2.11859e+02   -2.31258e+01    3.63509e-06

           Step           Time
      240560000   481120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70229e+03    1.79231e+04    1.22838e+04    1.04029e+03   -2.89785e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47811e+03    1.03939e+05    2.79995e+05   -1.71662e+04   -2.15544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20917e+04   -1.73605e+06    3.46197e+05   -1.38985e+06    3.43005e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10698e+02   -2.11424e+02   -5.94653e+01    3.63793e-06

           Step           Time
      240565000   481130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53083e+03    1.77025e+04    1.24441e+04    1.07294e+03   -2.76519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57925e+03    1.04610e+05    2.79575e+05   -1.72318e+04   -2.15553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19949e+04   -1.73602e+06    3.48648e+05   -1.38737e+06    3.43170e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12898e+02   -2.13041e+02    3.33087e+01    3.58137e-06

           Step           Time
      240570000   481140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70852e+03    1.83304e+04    1.23992e+04    1.08943e+03   -2.97245e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48983e+03    1.04122e+05    2.80365e+05   -1.71681e+04   -2.15447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19315e+04   -1.73418e+06    3.47484e+05   -1.38669e+06    3.43880e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11853e+02   -2.11470e+02    2.30685e+01    3.65975e-06

           Step           Time
      240575000   481150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54998e+03    1.78835e+04    1.25006e+04    1.04615e+03   -2.83044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48371e+03    1.04506e+05    2.80561e+05   -1.72326e+04   -2.15696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20157e+04   -1.73648e+06    3.48414e+05   -1.38807e+06    3.43664e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12688e+02   -2.13059e+02    7.83711e+00    3.84518e-06

           Step           Time
      240580000   481160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75518e+03    1.81287e+04    1.24732e+04    1.07556e+03   -2.93457e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53356e+03    1.04709e+05    2.79862e+05   -1.72002e+04   -2.15227e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20460e+04   -1.73183e+06    3.45997e+05   -1.38583e+06    3.44268e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10519e+02   -2.12261e+02   -2.24357e+00    3.62570e-06

           Step           Time
      240585000   481170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56260e+03    1.77148e+04    1.24306e+04    1.17044e+03   -2.82691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38969e+03    1.04351e+05    2.78512e+05   -1.72079e+04   -2.15458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20230e+04   -1.73646e+06    3.46535e+05   -1.38993e+06    3.43958e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11002e+02   -2.12451e+02   -1.31433e+02    3.80137e-06

           Step           Time
      240590000   481180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58660e+03    1.83791e+04    1.22095e+04    1.10231e+03   -2.93712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37719e+03    1.04386e+05    2.81423e+05   -1.72219e+04   -2.15809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17604e+04   -1.73702e+06    3.47286e+05   -1.38974e+06    3.44585e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11675e+02   -2.12795e+02    5.90725e+00    3.65761e-06

           Step           Time
      240595000   481190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52359e+03    1.81864e+04    1.20920e+04    1.01862e+03   -2.74677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43308e+03    1.04530e+05    2.83093e+05   -1.72008e+04   -2.15877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21412e+04   -1.73570e+06    3.47396e+05   -1.38830e+06    3.45035e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11775e+02   -2.12275e+02    8.36083e+01    3.66526e-06

           Step           Time
      240600000   481200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34387e+03    1.79704e+04    1.24022e+04    1.09959e+03   -2.93970e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58151e+03    1.04665e+05    2.79190e+05   -1.71640e+04   -2.15449e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20225e+04   -1.73532e+06    3.46263e+05   -1.38905e+06    3.45624e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10757e+02   -2.11369e+02   -3.66349e+01    3.69714e-06

           Step           Time
      240605000   481210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70521e+03    1.75416e+04    1.22512e+04    1.09683e+03   -2.87985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40189e+03    1.04230e+05    2.80060e+05   -1.71917e+04   -2.15537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19022e+04   -1.73625e+06    3.43446e+05   -1.39280e+06    3.45958e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08229e+02   -2.12051e+02   -9.99743e+00    3.67512e-06

           Step           Time
      240610000   481220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44824e+03    1.81262e+04    1.23792e+04    1.00540e+03   -2.75055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48862e+03    1.03915e+05    2.79843e+05   -1.71942e+04   -2.15674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18091e+04   -1.73767e+06    3.46625e+05   -1.39105e+06    3.45902e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11083e+02   -2.12113e+02   -5.45991e+01    3.69241e-06

           Step           Time
      240615000   481230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48180e+03    1.81524e+04    1.25393e+04    1.03369e+03   -2.79811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38749e+03    1.03988e+05    2.81291e+05   -1.72671e+04   -2.15681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19695e+04   -1.73603e+06    3.46233e+05   -1.38980e+06    3.45978e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10731e+02   -2.13913e+02    5.42729e+01    3.64297e-06

           Step           Time
      240620000   481240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45459e+03    1.82113e+04    1.23394e+04    1.11296e+03   -2.83582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64205e+03    1.04182e+05    2.78580e+05   -1.71874e+04   -2.15294e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20091e+04   -1.73443e+06    3.45516e+05   -1.38892e+06    3.46641e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10087e+02   -2.11945e+02   -5.32115e+01    3.49038e-06

           Step           Time
      240625000   481250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31948e+03    1.79705e+04    1.23658e+04    1.03822e+03   -2.78801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46872e+03    1.04257e+05    2.79367e+05   -1.72222e+04   -2.15528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20877e+04   -1.73641e+06    3.45720e+05   -1.39069e+06    3.46660e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10270e+02   -2.12803e+02   -4.54612e+01    3.70795e-06

           Step           Time
      240630000   481260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44972e+03    1.82173e+04    1.24278e+04    1.05259e+03   -2.82529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47545e+03    1.03946e+05    2.78527e+05   -1.72236e+04   -2.15460e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19724e+04   -1.73658e+06    3.45460e+05   -1.39112e+06    3.47331e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10036e+02   -2.12837e+02   -2.47722e+01    3.50547e-06

           Step           Time
      240635000   481270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39853e+03    1.83930e+04    1.24367e+04    1.10164e+03   -2.72639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55200e+03    1.04264e+05    2.80607e+05   -1.72170e+04   -2.15478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20452e+04   -1.73392e+06    3.47617e+05   -1.38631e+06    3.47911e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11973e+02   -2.12674e+02    6.60003e+01    3.56293e-06

           Step           Time
      240640000   481280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47208e+03    1.81932e+04    1.24437e+04    9.97885e+02   -2.90751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40820e+03    1.04352e+05    2.81693e+05   -1.71731e+04   -2.15555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20983e+04   -1.73397e+06    3.45381e+05   -1.38859e+06    3.48118e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09966e+02   -2.11592e+02    1.73985e+01    3.71662e-06

           Step           Time
      240645000   481290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23869e+03    1.84393e+04    1.23578e+04    1.08464e+03   -2.82276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58129e+03    1.03982e+05    2.80499e+05   -1.71803e+04   -2.15285e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20941e+04   -1.73257e+06    3.49418e+05   -1.38316e+06    3.47890e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13590e+02   -2.11771e+02    6.70884e+01    3.66044e-06

           Step           Time
      240650000   481300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60933e+03    1.82549e+04    1.22724e+04    1.05007e+03   -2.92634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37336e+03    1.03460e+05    2.80927e+05   -1.72158e+04   -2.15638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20549e+04   -1.73652e+06    3.46703e+05   -1.38982e+06    3.48164e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11153e+02   -2.12645e+02    2.92742e+01    3.74364e-06

           Step           Time
      240655000   481310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54181e+03    1.75637e+04    1.23758e+04    1.08300e+03   -2.76836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52015e+03    1.04202e+05    2.82247e+05   -1.71708e+04   -2.15792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20408e+04   -1.73629e+06    3.45332e+05   -1.39096e+06    3.48202e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09922e+02   -2.11537e+02   -5.27440e+01    3.58719e-06

           Step           Time
      240660000   481320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47073e+03    1.81114e+04    1.22135e+04    1.09753e+03   -2.93265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47101e+03    1.04031e+05    2.81039e+05   -1.71512e+04   -2.15854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18732e+04   -1.73832e+06    3.46824e+05   -1.39149e+06    3.48544e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11261e+02   -2.11054e+02   -4.93344e+01    3.61641e-06

           Step           Time
      240665000   481330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46206e+03    1.81916e+04    1.25628e+04    1.22206e+03   -2.75736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43004e+03    1.04600e+05    2.82350e+05   -1.71740e+04   -2.15677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20013e+04   -1.73388e+06    3.47741e+05   -1.38614e+06    3.48942e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12084e+02   -2.11614e+02    6.48761e+01    3.49514e-06

           Step           Time
      240670000   481340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45824e+03    1.81088e+04    1.23460e+04    1.07579e+03   -2.78798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52843e+03    1.03777e+05    2.78690e+05   -1.71965e+04   -2.15283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19817e+04   -1.73485e+06    3.46724e+05   -1.38812e+06    3.49162e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11171e+02   -2.12168e+02   -2.43458e+01    3.74034e-06

           Step           Time
      240675000   481350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50415e+03    1.82058e+04    1.23867e+04    1.07574e+03   -2.88472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38995e+03    1.03576e+05    2.81025e+05   -1.71747e+04   -2.15383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19897e+04   -1.73373e+06    3.47258e+05   -1.38647e+06    3.49642e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11651e+02   -2.11632e+02   -2.42730e+01    3.53018e-06

           Step           Time
      240680000   481360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28542e+03    1.83373e+04    1.22905e+04    1.10685e+03   -2.80058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46254e+03    1.04228e+05    2.80696e+05   -1.72311e+04   -2.15690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19192e+04   -1.73661e+06    3.48225e+05   -1.38838e+06    3.50131e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12518e+02   -2.13023e+02    1.92011e+01    3.62307e-06

           Step           Time
      240685000   481370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29268e+03    1.81375e+04    1.22805e+04    1.03789e+03   -2.72171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55485e+03    1.03842e+05    2.83083e+05   -1.72224e+04   -2.16010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19510e+04   -1.73786e+06    3.44918e+05   -1.39295e+06    3.50644e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09551e+02   -2.12808e+02    8.57456e+01    3.86932e-06

           Step           Time
      240690000   481380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42978e+03    1.80909e+04    1.22585e+04    1.09028e+03   -2.95181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56554e+03    1.04448e+05    2.80423e+05   -1.71918e+04   -2.15587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19906e+04   -1.73572e+06    3.43752e+05   -1.39196e+06    3.50868e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08504e+02   -2.12054e+02    1.46936e+01    3.52932e-06

           Step           Time
      240695000   481390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62736e+03    1.81397e+04    1.23859e+04    1.08498e+03   -2.83287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37934e+03    1.03774e+05    2.77572e+05   -1.71755e+04   -2.15199e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19920e+04   -1.73504e+06    3.46684e+05   -1.38836e+06    3.50884e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11135e+02   -2.11653e+02   -1.59324e+02    3.57043e-06

           Step           Time
      240700000   481400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75027e+03    1.83229e+04    1.25059e+04    1.08417e+03   -2.93035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50641e+03    1.03546e+05    2.81213e+05   -1.71943e+04   -2.15235e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20328e+04   -1.73151e+06    3.46062e+05   -1.38545e+06    3.51765e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10577e+02   -2.12115e+02    4.33904e+01    3.68551e-06

           Step           Time
      240705000   481410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70844e+03    1.81965e+04    1.25271e+04    1.10973e+03   -2.77177e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58424e+03    1.03929e+05    2.80603e+05   -1.72280e+04   -2.15692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18931e+04   -1.73636e+06    3.45903e+05   -1.39046e+06    3.52540e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10435e+02   -2.12947e+02    2.33173e+01    3.39773e-06

           Step           Time
      240710000   481420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.18318e+03    1.80201e+04    1.21954e+04    1.04039e+03   -2.82298e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45934e+03    1.03999e+05    2.81138e+05   -1.71711e+04   -2.15717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20329e+04   -1.73709e+06    3.45544e+05   -1.39155e+06    3.52160e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10112e+02   -2.11543e+02    1.94391e+01    3.56744e-06

           Step           Time
      240715000   481430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64302e+03    1.82240e+04    1.24910e+04    1.13998e+03   -2.81909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39062e+03    1.03601e+05    2.76787e+05   -1.72265e+04   -2.15111e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19377e+04   -1.73494e+06    3.45434e+05   -1.38951e+06    3.52570e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10014e+02   -2.12909e+02   -1.61390e+02    3.49139e-06

           Step           Time
      240720000   481440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25215e+03    1.82612e+04    1.24101e+04    1.08007e+03   -2.88844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49834e+03    1.03728e+05    2.79453e+05   -1.72165e+04   -2.15506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19444e+04   -1.73654e+06    3.45553e+05   -1.39099e+06    3.52354e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10120e+02   -2.12661e+02   -5.87603e+01    3.51071e-06

           Step           Time
      240725000   481450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32879e+03    1.82436e+04    1.21148e+04    9.73859e+02   -2.88529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48755e+03    1.04061e+05    2.80288e+05   -1.72030e+04   -2.15530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19337e+04   -1.73595e+06    3.46965e+05   -1.38899e+06    3.52828e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11388e+02   -2.12329e+02   -1.62893e+01    3.71630e-06

           Step           Time
      240730000   481460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66630e+03    1.82501e+04    1.24095e+04    1.07443e+03   -2.71297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39528e+03    1.04049e+05    2.79169e+05   -1.71575e+04   -2.15390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20407e+04   -1.73471e+06    3.47289e+05   -1.38742e+06    3.53128e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11679e+02   -2.11208e+02   -1.14223e+02    3.54060e-06

           Step           Time
      240735000   481470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40755e+03    1.85459e+04    1.23854e+04    1.08618e+03   -2.85150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37576e+03    1.03923e+05    2.81979e+05   -1.71530e+04   -2.15494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20222e+04   -1.73322e+06    3.46564e+05   -1.38665e+06    3.53384e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11028e+02   -2.11099e+02    4.37735e+01    3.59015e-06

           Step           Time
      240740000   481480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59924e+03    1.80050e+04    1.23446e+04    1.09433e+03   -2.73625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54082e+03    1.04037e+05    2.79724e+05   -1.71872e+04   -2.15350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19272e+04   -1.73415e+06    3.46210e+05   -1.38794e+06    3.54098e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10710e+02   -2.11940e+02   -6.37670e+01    3.60324e-06

           Step           Time
      240745000   481490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37523e+03    1.82366e+04    1.23830e+04    1.07600e+03   -2.87732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56873e+03    1.04030e+05    2.81209e+05   -1.71791e+04   -2.15599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21743e+04   -1.73499e+06    3.45349e+05   -1.38964e+06    3.54092e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09938e+02   -2.11739e+02    2.83896e+00    3.61279e-06

           Step           Time
      240750000   481500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89379e+03    1.84489e+04    1.22824e+04    1.06269e+03   -2.75936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38201e+03    1.03486e+05    2.81147e+05   -1.71929e+04   -2.15499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19858e+04   -1.73425e+06    3.45221e+05   -1.38903e+06    3.54528e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09822e+02   -2.12080e+02   -3.86926e+01    3.80318e-06

           Step           Time
      240755000   481510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56843e+03    1.80757e+04    1.23116e+04    1.10034e+03   -2.90854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51190e+03    1.03854e+05    2.78395e+05   -1.72345e+04   -2.15383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18975e+04   -1.73626e+06    3.46233e+05   -1.39003e+06    3.54824e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10731e+02   -2.13107e+02   -2.32496e+01    3.51317e-06

           Step           Time
      240760000   481520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87623e+03    1.81997e+04    1.23748e+04    1.03044e+03   -2.91484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49613e+03    1.03969e+05    2.81346e+05   -1.71946e+04   -2.15559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19213e+04   -1.73448e+06    3.47573e+05   -1.38691e+06    3.54955e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11934e+02   -2.12122e+02   -4.33645e+01    3.63013e-06

Writing checkpoint, step 240764200 at Sat Dec  2 01:38:07 2023


           Step           Time
      240765000   481530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62815e+03    1.79950e+04    1.23933e+04    1.12317e+03   -2.85954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40299e+03    1.03875e+05    2.81970e+05   -1.71405e+04   -2.15719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19070e+04   -1.73590e+06    3.45452e+05   -1.39045e+06    3.55496e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10030e+02   -2.10791e+02   -4.28004e+01    3.68563e-06

           Step           Time
      240770000   481540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53086e+03    1.80888e+04    1.22920e+04    9.72637e+02   -2.74989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49061e+03    1.04349e+05    2.80281e+05   -1.71930e+04   -2.15420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21054e+04   -1.73403e+06    3.46955e+05   -1.38708e+06    3.55185e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11378e+02   -2.12082e+02   -4.14333e+01    3.67219e-06

           Step           Time
      240775000   481550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37264e+03    1.82282e+04    1.22802e+04    1.01580e+03   -2.75536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46384e+03    1.04316e+05    2.78707e+05   -1.71916e+04   -2.15468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20393e+04   -1.73620e+06    3.46195e+05   -1.39001e+06    3.55642e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10697e+02   -2.12049e+02   -7.22060e+01    3.64067e-06

           Step           Time
      240780000   481560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44357e+03    1.77536e+04    1.24673e+04    1.04628e+03   -2.90752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53676e+03    1.04621e+05    2.80782e+05   -1.72096e+04   -2.15790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19944e+04   -1.73737e+06    3.45469e+05   -1.39190e+06    3.56030e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10045e+02   -2.12493e+02    5.46494e+00    3.54537e-06

           Step           Time
      240785000   481570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78414e+03    1.83841e+04    1.21607e+04    1.04505e+03   -2.90721e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47101e+03    1.04460e+05    2.79819e+05   -1.72062e+04   -2.15563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19420e+04   -1.73568e+06    3.46002e+05   -1.38968e+06    3.56806e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10523e+02   -2.12409e+02   -7.95979e+01    3.56447e-06

           Step           Time
      240790000   481580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56375e+03    1.81920e+04    1.22736e+04    1.05720e+03   -2.89732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50460e+03    1.04323e+05    2.81425e+05   -1.72377e+04   -2.15745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19391e+04   -1.73631e+06    3.47219e+05   -1.38909e+06    3.56685e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11615e+02   -2.13186e+02    7.13395e+01    3.52708e-06

           Step           Time
      240795000   481590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74018e+03    1.82152e+04    1.22761e+04    1.05026e+03   -2.87582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50968e+03    1.04048e+05    2.79383e+05   -1.71652e+04   -2.15218e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21190e+04   -1.73288e+06    3.45163e+05   -1.38771e+06    3.56931e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09770e+02   -2.11397e+02   -6.19180e+01    3.63393e-06

           Step           Time
      240800000   481600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42235e+03    1.85060e+04    1.21628e+04    1.12247e+03   -2.85672e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50406e+03    1.03803e+05    2.82038e+05   -1.72012e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20199e+04   -1.73404e+06    3.47039e+05   -1.38700e+06    3.56922e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11454e+02   -2.12285e+02    5.83286e+01    3.65250e-06

           Step           Time
      240805000   481610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32884e+03    1.80106e+04    1.23151e+04    1.05717e+03   -2.88518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37784e+03    1.04426e+05    2.83483e+05   -1.71917e+04   -2.15972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19276e+04   -1.73687e+06    3.46695e+05   -1.39017e+06    3.56715e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11145e+02   -2.12050e+02    8.58800e+01    3.72020e-06

           Step           Time
      240810000   481620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43155e+03    1.80621e+04    1.24927e+04    1.01001e+03   -2.85912e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55219e+03    1.04053e+05    2.81360e+05   -1.71719e+04   -2.15585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21026e+04   -1.73482e+06    3.46971e+05   -1.38784e+06    3.57302e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11393e+02   -2.11563e+02    5.67002e+01    3.70831e-06

           Step           Time
      240815000   481630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68178e+03    1.81870e+04    1.24337e+04    1.16571e+03   -2.77559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44014e+03    1.03855e+05    2.78839e+05   -1.71396e+04   -2.15283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19812e+04   -1.73416e+06    3.45462e+05   -1.38870e+06    3.57886e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10039e+02   -2.10770e+02   -8.72177e+01    3.69209e-06

           Step           Time
      240820000   481640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69482e+03    1.81757e+04    1.23125e+04    1.02979e+03   -2.81976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57037e+03    1.03947e+05    2.82341e+05   -1.71821e+04   -2.15867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20331e+04   -1.73657e+06    3.47310e+05   -1.38926e+06    3.57976e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11698e+02   -2.11814e+02    5.00588e+01    3.55496e-06

           Step           Time
      240825000   481650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50308e+03    1.83976e+04    1.24714e+04    1.03987e+03   -2.93499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59901e+03    1.03939e+05    2.79928e+05   -1.71868e+04   -2.15362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22832e+04   -1.73358e+06    3.47524e+05   -1.38606e+06    3.58156e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11890e+02   -2.11929e+02    5.61539e+01    3.68096e-06

           Step           Time
      240830000   481660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65547e+03    1.80491e+04    1.22359e+04    9.76574e+02   -2.80582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44734e+03    1.04535e+05    2.77131e+05   -1.72080e+04   -2.14985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20258e+04   -1.73281e+06    3.44941e+05   -1.38787e+06    3.58311e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09571e+02   -2.12453e+02   -5.96609e+01    3.63407e-06

           Step           Time
      240835000   481670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36961e+03    1.80750e+04    1.24075e+04    1.05289e+03   -2.77640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58779e+03    1.04382e+05    2.78998e+05   -1.71821e+04   -2.15178e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20738e+04   -1.73280e+06    3.46521e+05   -1.38628e+06    3.58298e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10989e+02   -2.11814e+02    2.26994e+00    3.72567e-06

           Step           Time
      240840000   481680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65922e+03    1.82981e+04    1.21314e+04    1.08040e+03   -2.79103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48279e+03    1.03735e+05    2.82673e+05   -1.71736e+04   -2.15742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20499e+04   -1.73528e+06    3.46433e+05   -1.38885e+06    3.58612e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10910e+02   -2.11604e+02    1.17036e+02    3.62929e-06

           Step           Time
      240845000   481690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53317e+03    1.81300e+04    1.23783e+04    1.03281e+03   -2.81429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51275e+03    1.04324e+05    2.81181e+05   -1.71530e+04   -2.15494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18805e+04   -1.73393e+06    3.47586e+05   -1.38634e+06    3.58789e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11945e+02   -2.11100e+02    3.91280e+01    3.72810e-06

           Step           Time
      240850000   481700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69144e+03    1.84675e+04    1.23680e+04    1.06300e+03   -2.89926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42707e+03    1.04339e+05    2.78535e+05   -1.71930e+04   -2.15414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19980e+04   -1.73534e+06    3.45921e+05   -1.38942e+06    3.59464e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10451e+02   -2.12082e+02   -1.07767e+02    3.65113e-06

           Step           Time
      240855000   481710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45184e+03    1.82008e+04    1.23930e+04    1.07736e+03   -2.91277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50505e+03    1.04385e+05    2.79455e+05   -1.71701e+04   -2.15458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19215e+04   -1.73528e+06    3.45494e+05   -1.38978e+06    3.59520e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10068e+02   -2.11518e+02   -9.29967e+01    3.68271e-06

           Step           Time
      240860000   481720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48773e+03    1.81543e+04    1.21870e+04    1.07089e+03   -2.78033e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50840e+03    1.04513e+05    2.80590e+05   -1.72176e+04   -2.15704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21035e+04   -1.73643e+06    3.45588e+05   -1.39084e+06    3.59944e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10152e+02   -2.12688e+02   -1.58489e+01    3.59354e-06

           Step           Time
      240865000   481730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57234e+03    1.83035e+04    1.22848e+04    1.01809e+03   -2.85134e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43257e+03    1.04248e+05    2.79060e+05   -1.71803e+04   -2.15408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19354e+04   -1.73526e+06    3.47158e+05   -1.38810e+06    3.59978e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11561e+02   -2.11769e+02   -7.42054e+01    3.56936e-06

           Step           Time
      240870000   481740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28910e+03    1.88261e+04    1.21979e+04    1.03118e+03   -2.83031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60781e+03    1.04474e+05    2.79469e+05   -1.72069e+04   -2.15642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20678e+04   -1.73650e+06    3.46869e+05   -1.38963e+06    3.60458e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11301e+02   -2.12424e+02   -2.78832e+01    3.75188e-06

           Step           Time
      240875000   481750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57365e+03    1.82421e+04    1.23527e+04    1.03224e+03   -2.75186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40205e+03    1.04722e+05    2.79982e+05   -1.71915e+04   -2.15460e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21065e+04   -1.73413e+06    3.47784e+05   -1.38635e+06    3.60491e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12123e+02   -2.12045e+02   -4.84078e+01    3.56855e-06

           Step           Time
      240880000   481760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29966e+03    1.81541e+04    1.22388e+04    1.08061e+03   -2.87018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35591e+03    1.04553e+05    2.80506e+05   -1.72052e+04   -2.15760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19839e+04   -1.73751e+06    3.46830e+05   -1.39067e+06    3.60742e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11267e+02   -2.12383e+02   -5.92417e+01    3.57698e-06

           Step           Time
      240885000   481770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33671e+03    1.83983e+04    1.22428e+04    1.13026e+03   -2.97011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50281e+03    1.04123e+05    2.82255e+05   -1.72168e+04   -2.15834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19273e+04   -1.73661e+06    3.45796e+05   -1.39081e+06    3.61385e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10338e+02   -2.12669e+02    1.00569e+02    3.50310e-06

           Step           Time
      240890000   481780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66944e+03    1.79135e+04    1.20251e+04    1.06570e+03   -2.87127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35467e+03    1.04242e+05    2.82845e+05   -1.71716e+04   -2.15789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20825e+04   -1.73573e+06    3.44944e+05   -1.39079e+06    3.61701e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09573e+02   -2.11556e+02   -1.78393e+01    3.68905e-06

           Step           Time
      240895000   481790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58733e+03    1.82274e+04    1.23908e+04    1.09878e+03   -2.87222e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37115e+03    1.04414e+05    2.80395e+05   -1.71300e+04   -2.15560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21724e+04   -1.73495e+06    3.47042e+05   -1.38790e+06    3.62214e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11456e+02   -2.10534e+02   -8.58481e+01    3.58038e-06

           Step           Time
      240900000   481800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46825e+03    1.82102e+04    1.22729e+04    1.05938e+03   -2.78834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48441e+03    1.04645e+05    2.80819e+05   -1.72203e+04   -2.15473e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19675e+04   -1.73381e+06    3.45429e+05   -1.38838e+06    3.62590e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10009e+02   -2.12757e+02    7.91256e+01    3.53443e-06

           Step           Time
      240905000   481810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66573e+03    1.80801e+04    1.23625e+04    1.07099e+03   -2.81684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42853e+03    1.04464e+05    2.83528e+05   -1.72253e+04   -2.15839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19639e+04   -1.73487e+06    3.46785e+05   -1.38808e+06    3.62992e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11226e+02   -2.12880e+02    1.96751e+02    3.69367e-06

           Step           Time
      240910000   481820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72979e+03    1.80748e+04    1.22442e+04    1.03215e+03   -2.92250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48006e+03    1.04615e+05    2.81088e+05   -1.71759e+04   -2.15807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19154e+04   -1.73699e+06    3.46992e+05   -1.39000e+06    3.63176e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11412e+02   -2.11662e+02   -3.86918e+01    3.68504e-06

           Step           Time
      240915000   481830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45315e+03    1.81743e+04    1.22823e+04    1.02032e+03   -2.90083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49158e+03    1.04723e+05    2.79580e+05   -1.71993e+04   -2.15423e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20627e+04   -1.73454e+06    3.45264e+05   -1.38928e+06    3.63458e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09861e+02   -2.12238e+02   -2.04214e+01    3.76919e-06

           Step           Time
      240920000   481840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53258e+03    1.81458e+04    1.21414e+04    1.14346e+03   -2.85941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54483e+03    1.04661e+05    2.79042e+05   -1.71711e+04   -2.15234e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20056e+04   -1.73315e+06    3.45962e+05   -1.38719e+06    3.63620e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10487e+02   -2.11543e+02   -1.01105e+02    3.78979e-06

           Step           Time
      240925000   481850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66232e+03    1.84723e+04    1.22312e+04    1.09087e+03   -2.85255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50736e+03    1.04629e+05    2.79908e+05   -1.71709e+04   -2.15276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20111e+04   -1.73227e+06    3.47576e+05   -1.38470e+06    3.64172e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11936e+02   -2.11537e+02   -6.62438e+01    3.64598e-06

           Step           Time
      240930000   481860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62670e+03    1.81408e+04    1.24066e+04    1.11612e+03   -2.91196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40496e+03    1.04693e+05    2.79945e+05   -1.72061e+04   -2.15498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18546e+04   -1.73491e+06    3.46759e+05   -1.38815e+06    3.64159e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11202e+02   -2.12405e+02   -6.88344e+01    3.48097e-06

           Step           Time
      240935000   481870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47616e+03    1.82920e+04    1.24675e+04    1.11019e+03   -2.91854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49095e+03    1.04175e+05    2.79897e+05   -1.72100e+04   -2.15540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21545e+04   -1.73547e+06    3.44842e+05   -1.39062e+06    3.64685e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09482e+02   -2.12503e+02    5.23823e+01    3.53065e-06

           Step           Time
      240940000   481880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39029e+03    1.80343e+04    1.23456e+04    1.06314e+03   -2.79556e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42465e+03    1.04691e+05    2.80004e+05   -1.71698e+04   -2.15447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22128e+04   -1.73427e+06    3.45169e+05   -1.38910e+06    3.64855e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09776e+02   -2.11512e+02   -3.68785e+01    3.53458e-06

           Step           Time
      240945000   481890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52887e+03    1.81806e+04    1.22224e+04    1.09811e+03   -2.86669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44924e+03    1.04931e+05    2.82040e+05   -1.71701e+04   -2.15750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19858e+04   -1.73510e+06    3.46486e+05   -1.38862e+06    3.65155e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10958e+02   -2.11518e+02    3.15634e+01    3.62601e-06

           Step           Time
      240950000   481900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37855e+03    1.81116e+04    1.22489e+04    1.08585e+03   -2.76932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47247e+03    1.04832e+05    2.79464e+05   -1.71769e+04   -2.15385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22050e+04   -1.73399e+06    3.46989e+05   -1.38700e+06    3.65140e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11409e+02   -2.11687e+02   -6.32375e+01    3.67265e-06

           Step           Time
      240955000   481910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63709e+03    1.85220e+04    1.21716e+04    1.07959e+03   -2.86081e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44060e+03    1.04543e+05    2.78845e+05   -1.71581e+04   -2.15337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19669e+04   -1.73419e+06    3.46921e+05   -1.38726e+06    3.65485e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11348e+02   -2.11225e+02   -1.30312e+02    3.39641e-06

           Step           Time
      240960000   481920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40549e+03    1.82257e+04    1.20745e+04    1.06654e+03   -2.82321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50601e+03    1.03986e+05    2.82350e+05   -1.72139e+04   -2.15928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20334e+04   -1.73767e+06    3.44902e+05   -1.39276e+06    3.65969e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09536e+02   -2.12599e+02    4.10166e+01    3.57438e-06

           Step           Time
      240965000   481930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65250e+03    1.83910e+04    1.24016e+04    1.03645e+03   -2.88378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47384e+03    1.04678e+05    2.80656e+05   -1.71660e+04   -2.15369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18224e+04   -1.73263e+06    3.46922e+05   -1.38571e+06    3.66454e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11349e+02   -2.11418e+02   -4.74404e+00    3.68590e-06

           Step           Time
      240970000   481940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65752e+03    1.79402e+04    1.23118e+04    1.13261e+03   -2.82602e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54801e+03    1.04609e+05    2.85274e+05   -1.72279e+04   -2.16471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19301e+04   -1.73936e+06    3.46923e+05   -1.39244e+06    3.66561e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11350e+02   -2.12943e+02    1.70689e+02    3.48228e-06

           Step           Time
      240975000   481950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54386e+03    1.79893e+04    1.23270e+04    1.12530e+03   -2.87386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45693e+03    1.04456e+05    2.83611e+05   -1.71640e+04   -2.15832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22129e+04   -1.73463e+06    3.45422e+05   -1.38921e+06    3.66670e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10003e+02   -2.11368e+02    9.02468e+01    3.45081e-06

           Step           Time
      240980000   481960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56239e+03    1.83649e+04    1.22337e+04    1.04900e+03   -2.82595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42942e+03    1.04183e+05    2.79814e+05   -1.71861e+04   -2.15410e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20435e+04   -1.73443e+06    3.46910e+05   -1.38752e+06    3.66721e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11339e+02   -2.11913e+02   -7.99916e+01    3.57226e-06

           Step           Time
      240985000   481970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53858e+03    1.85865e+04    1.22018e+04    1.12038e+03   -2.86564e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46250e+03    1.04664e+05    2.80078e+05   -1.71560e+04   -2.15323e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19620e+04   -1.73264e+06    3.46153e+05   -1.38648e+06    3.67589e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10659e+02   -2.11172e+02   -2.25512e+01    3.52838e-06

           Step           Time
      240990000   481980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47519e+03    1.81690e+04    1.23539e+04    1.09755e+03   -2.87225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49559e+03    1.04037e+05    2.82305e+05   -1.71731e+04   -2.15663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19926e+04   -1.73475e+06    3.46071e+05   -1.38868e+06    3.67525e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10586e+02   -2.11593e+02    5.05048e+01    3.57942e-06

           Step           Time
      240995000   481990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43926e+03    1.80676e+04    1.24205e+04    1.15068e+03   -2.82804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49811e+03    1.04313e+05    2.82549e+05   -1.72416e+04   -2.15941e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19148e+04   -1.73713e+06    3.46457e+05   -1.39067e+06    3.67915e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.13281e+02    7.91713e+01    3.58851e-06

           Step           Time
      241000000   482000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46600e+03    1.84068e+04    1.23622e+04    1.07182e+03   -2.91531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50004e+03    1.04338e+05    2.80912e+05   -1.71966e+04   -2.15700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20531e+04   -1.73600e+06    3.48590e+05   -1.38741e+06    3.68379e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12846e+02   -2.12171e+02    1.38719e+01    3.60257e-06

           Step           Time
      241005000   482010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46055e+03    1.81664e+04    1.22499e+04    1.05442e+03   -2.81355e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45486e+03    1.04457e+05    2.77736e+05   -1.72131e+04   -2.15477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18089e+04   -1.73741e+06    3.45342e+05   -1.39207e+06    3.68982e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09931e+02   -2.12578e+02   -1.34255e+02    3.73029e-06

           Step           Time
      241010000   482020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64315e+03    1.81853e+04    1.22634e+04    1.04710e+03   -2.77268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.31126e+03    1.04170e+05    2.82169e+05   -1.72278e+04   -2.16014e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19227e+04   -1.73843e+06    3.46464e+05   -1.39197e+06    3.69225e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10938e+02   -2.12941e+02    3.46728e+01    3.62460e-06

           Step           Time
      241015000   482030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48261e+03    1.80993e+04    1.24686e+04    1.10151e+03   -2.82248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44274e+03    1.04481e+05    2.79854e+05   -1.71673e+04   -2.15577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21168e+04   -1.73571e+06    3.46992e+05   -1.38872e+06    3.69302e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11412e+02   -2.11451e+02   -1.46160e+02    3.59153e-06

           Step           Time
      241020000   482040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40443e+03    1.80584e+04    1.23565e+04    1.04767e+03   -2.86204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58325e+03    1.04732e+05    2.79741e+05   -1.72065e+04   -2.15584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19350e+04   -1.73605e+06    3.45953e+05   -1.39010e+06    3.69771e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10480e+02   -2.12416e+02   -4.96658e+01    3.62611e-06

           Step           Time
      241025000   482050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74202e+03    1.83414e+04    1.23499e+04    1.06834e+03   -2.85552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39030e+03    1.04085e+05    2.79198e+05   -1.71545e+04   -2.15283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19302e+04   -1.73374e+06    3.48167e+05   -1.38557e+06    3.69744e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12466e+02   -2.11134e+02   -1.31404e+02    3.57623e-06

           Step           Time
      241030000   482060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54253e+03    1.82834e+04    1.21858e+04    1.03254e+03   -2.86681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61497e+03    1.04405e+05    2.79853e+05   -1.71662e+04   -2.15489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19795e+04   -1.73502e+06    3.46246e+05   -1.38878e+06    3.70158e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10742e+02   -2.11423e+02   -4.96312e+01    3.67162e-06

           Step           Time
      241035000   482070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64629e+03    1.80338e+04    1.24058e+04    1.05110e+03   -2.78831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44325e+03    1.04207e+05    2.83045e+05   -1.72165e+04   -2.15867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20530e+04   -1.73579e+06    3.46175e+05   -1.38961e+06    3.70398e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10679e+02   -2.12662e+02    1.18626e+02    3.76562e-06

           Step           Time
      241040000   482080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77092e+03    1.86617e+04    1.22666e+04    1.06188e+03   -2.85308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53798e+03    1.03990e+05    2.79106e+05   -1.72051e+04   -2.15229e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19067e+04   -1.73305e+06    3.48816e+05   -1.38423e+06    3.71148e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13049e+02   -2.12380e+02    4.29041e+01    3.57836e-06

           Step           Time
      241045000   482090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61815e+03    1.86151e+04    1.23973e+04    1.06770e+03   -2.85257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46272e+03    1.03885e+05    2.79987e+05   -1.71699e+04   -2.15182e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20830e+04   -1.73173e+06    3.47583e+05   -1.38415e+06    3.70846e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11942e+02   -2.11513e+02   -7.68804e+00    3.51170e-06

           Step           Time
      241050000   482100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57522e+03    1.80068e+04    1.22761e+04    1.04443e+03   -2.88489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46718e+03    1.03992e+05    2.81855e+05   -1.71655e+04   -2.15844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22400e+04   -1.73703e+06    3.46752e+05   -1.39028e+06    3.71244e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11196e+02   -2.11405e+02    4.58749e+01    3.77326e-06

           Step           Time
      241055000   482110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57775e+03    1.79446e+04    1.23808e+04    1.12479e+03   -2.83435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51350e+03    1.04349e+05    2.80169e+05   -1.71883e+04   -2.15626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21038e+04   -1.73612e+06    3.47210e+05   -1.38891e+06    3.71361e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11607e+02   -2.11966e+02   -2.50336e+00    3.72988e-06

           Step           Time
      241060000   482120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30907e+03    1.84588e+04    1.24327e+04    1.06398e+03   -2.91133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57205e+03    1.03496e+05    2.83910e+05   -1.71870e+04   -2.15832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19769e+04   -1.73520e+06    3.47052e+05   -1.38815e+06    3.71756e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11466e+02   -2.11936e+02    1.51278e+02    3.57767e-06

           Step           Time
      241065000   482130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56738e+03    1.82577e+04    1.24605e+04    1.06876e+03   -2.94407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48198e+03    1.03752e+05    2.82043e+05   -1.71940e+04   -2.15495e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20304e+04   -1.73342e+06    3.47419e+05   -1.38601e+06    3.71844e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11795e+02   -2.12107e+02    7.43873e+01    3.59426e-06

           Step           Time
      241070000   482140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39113e+03    1.83593e+04    1.22796e+04    1.04620e+03   -2.79666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42171e+03    1.04026e+05    2.78198e+05   -1.71576e+04   -2.15107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20041e+04   -1.73330e+06    3.48731e+05   -1.38457e+06    3.72065e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12972e+02   -2.11212e+02   -6.67532e+01    3.57103e-06

           Step           Time
      241075000   482150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42788e+03    1.81993e+04    1.24072e+04    1.07589e+03   -2.85507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39126e+03    1.03781e+05    2.82692e+05   -1.71494e+04   -2.15626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20209e+04   -1.73427e+06    3.46348e+05   -1.38792e+06    3.72456e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10834e+02   -2.11010e+02    8.16303e+01    3.61274e-06

           Step           Time
      241080000   482160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53677e+03    1.80896e+04    1.22548e+04    1.09581e+03   -2.83221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37441e+03    1.03896e+05    2.80414e+05   -1.72309e+04   -2.15538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19595e+04   -1.73582e+06    3.46583e+05   -1.38924e+06    3.73004e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11045e+02   -2.13017e+02    2.69198e+01    3.61416e-06

           Step           Time
      241085000   482170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52657e+03    1.82309e+04    1.23417e+04    1.07442e+03   -2.83061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41105e+03    1.04296e+05    2.83397e+05   -1.71683e+04   -2.15965e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19091e+04   -1.73646e+06    3.45800e+05   -1.39066e+06    3.73602e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10342e+02   -2.11474e+02    8.91068e+01    3.60277e-06

           Step           Time
      241090000   482180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58216e+03    1.80816e+04    1.23247e+04    1.00039e+03   -2.86617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54004e+03    1.04089e+05    2.80142e+05   -1.71760e+04   -2.15317e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22145e+04   -1.73324e+06    3.46263e+05   -1.38698e+06    3.73785e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10757e+02   -2.11665e+02    2.34769e+01    3.57778e-06

           Step           Time
      241095000   482190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50552e+03    1.81370e+04    1.24447e+04    1.13228e+03   -2.82868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60955e+03    1.04260e+05    2.78253e+05   -1.71910e+04   -2.15227e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18385e+04   -1.73411e+06    3.46458e+05   -1.38765e+06    3.74384e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10933e+02   -2.12033e+02   -9.05542e+01    3.63223e-06

           Step           Time
      241100000   482200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39892e+03    1.81197e+04    1.20642e+04    1.02124e+03   -2.79967e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35464e+03    1.03972e+05    2.84219e+05   -1.72153e+04   -2.16216e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19449e+04   -1.73908e+06    3.47382e+05   -1.39170e+06    3.74418e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11762e+02   -2.12633e+02    1.36363e+02    3.66908e-06

           Step           Time
      241105000   482210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57720e+03    1.81825e+04    1.23221e+04    9.93680e+02   -2.79488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49834e+03    1.03943e+05    2.80652e+05   -1.71829e+04   -2.15612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19318e+04   -1.73600e+06    3.45477e+05   -1.39052e+06    3.75141e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10052e+02   -2.11834e+02   -7.08467e+01    3.65831e-06

           Step           Time
      241110000   482220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53424e+03    1.82950e+04    1.24540e+04    1.07212e+03   -2.81839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50031e+03    1.04185e+05    2.80073e+05   -1.71865e+04   -2.15471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18373e+04   -1.73477e+06    3.47181e+05   -1.38758e+06    3.75301e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11581e+02   -2.11922e+02   -3.38082e+01    3.80091e-06

           Step           Time
      241115000   482230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34965e+03    1.84394e+04    1.22762e+04    1.05906e+03   -2.80063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43603e+03    1.04069e+05    2.81065e+05   -1.71916e+04   -2.15538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19416e+04   -1.73473e+06    3.47614e+05   -1.38712e+06    3.75202e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11970e+02   -2.12049e+02    5.58665e+01    3.67866e-06

           Step           Time
      241120000   482240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55801e+03    1.80426e+04    1.21874e+04    1.04480e+03   -2.80506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58037e+03    1.03801e+05    2.82239e+05   -1.72146e+04   -2.15980e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20818e+04   -1.73829e+06    3.44841e+05   -1.39345e+06    3.75982e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09482e+02   -2.12616e+02    6.69443e+01    3.60529e-06

           Step           Time
      241125000   482250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60330e+03    1.83579e+04    1.24334e+04    9.34228e+02   -2.89370e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47552e+03    1.04342e+05    2.78877e+05   -1.71634e+04   -2.15274e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20350e+04   -1.73374e+06    3.44933e+05   -1.38881e+06    3.76931e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09564e+02   -2.11353e+02   -1.30363e+02    3.57185e-06

           Step           Time
      241130000   482260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79246e+03    1.84777e+04    1.23078e+04    1.08740e+03   -2.92812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45416e+03    1.03963e+05    2.80083e+05   -1.71905e+04   -2.15432e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20237e+04   -1.73425e+06    3.47035e+05   -1.38722e+06    3.76921e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11450e+02   -2.12022e+02   -3.19939e+01    3.56709e-06

           Step           Time
      241135000   482270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54105e+03    1.83901e+04    1.22196e+04    1.03731e+03   -2.82897e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50052e+03    1.03975e+05    2.79031e+05   -1.72165e+04   -2.15449e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18600e+04   -1.73598e+06    3.46552e+05   -1.38943e+06    3.77369e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11017e+02   -2.12662e+02   -9.81580e+01    3.60732e-06

           Step           Time
      241140000   482280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43481e+03    1.81203e+04    1.23149e+04    1.08385e+03   -2.86513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48456e+03    1.03980e+05    2.81591e+05   -1.71603e+04   -2.15430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21207e+04   -1.73320e+06    3.44973e+05   -1.38822e+06    3.77506e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09600e+02   -2.11277e+02   -9.27787e+00    3.76268e-06

           Step           Time
      241145000   482290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59937e+03    1.83950e+04    1.23394e+04    1.14189e+03   -2.82428e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55748e+03    1.04341e+05    2.81842e+05   -1.72203e+04   -2.15545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21225e+04   -1.73316e+06    3.46410e+05   -1.38675e+06    3.78271e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10889e+02   -2.12756e+02    9.97204e+01    3.57367e-06

           Step           Time
      241150000   482300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36190e+03    1.83907e+04    1.22484e+04    1.05476e+03   -2.82855e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45532e+03    1.04421e+05    2.83620e+05   -1.71845e+04   -2.15999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19174e+04   -1.73654e+06    3.46506e+05   -1.39003e+06    3.77869e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10976e+02   -2.11872e+02    1.18345e+02    3.73898e-06

           Step           Time
      241155000   482310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37573e+03    1.81879e+04    1.24110e+04    1.05028e+03   -2.93544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41379e+03    1.04311e+05    2.80214e+05   -1.72074e+04   -2.15632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19650e+04   -1.73653e+06    3.48380e+05   -1.38815e+06    3.77606e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12657e+02   -2.12437e+02   -4.68294e+01    3.68256e-06

           Step           Time
      241160000   482320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58824e+03    1.82617e+04    1.22288e+04    9.89927e+02   -2.88997e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45174e+03    1.04023e+05    2.81267e+05   -1.71512e+04   -2.15558e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18819e+04   -1.73493e+06    3.47292e+05   -1.38764e+06    3.78100e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11681e+02   -2.11055e+02   -1.03499e+01    3.69715e-06

           Step           Time
      241165000   482330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49019e+03    1.84382e+04    1.23135e+04    1.10055e+03   -2.85099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46156e+03    1.04106e+05    2.80728e+05   -1.71735e+04   -2.15608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20087e+04   -1.73546e+06    3.46049e+05   -1.38941e+06    3.78522e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10565e+02   -2.11602e+02   -2.04661e+01    3.64530e-06

           Step           Time
      241170000   482340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47446e+03    1.80163e+04    1.22489e+04    1.15763e+03   -2.96108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50397e+03    1.04863e+05    2.81418e+05   -1.71785e+04   -2.15630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19422e+04   -1.73482e+06    3.47157e+05   -1.38766e+06    3.79068e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11560e+02   -2.11726e+02   -7.69864e+00    3.60889e-06

           Step           Time
      241175000   482350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25618e+03    1.82415e+04    1.23285e+04    1.10733e+03   -2.87116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54483e+03    1.04730e+05    2.79992e+05   -1.72004e+04   -2.15557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21060e+04   -1.73533e+06    3.45416e+05   -1.38992e+06    3.79536e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09997e+02   -2.12266e+02   -2.82005e+01    3.47231e-06

           Step           Time
      241180000   482360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54828e+03    1.81365e+04    1.24788e+04    1.11494e+03   -2.86533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43846e+03    1.04158e+05    2.80030e+05   -1.71556e+04   -2.15420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21004e+04   -1.73422e+06    3.46482e+05   -1.38774e+06    3.79715e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10954e+02   -2.11163e+02   -7.12326e+01    3.65471e-06

           Step           Time
      241185000   482370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61142e+03    1.82453e+04    1.24672e+04    1.07653e+03   -2.87344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52471e+03    1.04345e+05    2.81685e+05   -1.72263e+04   -2.15785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19528e+04   -1.73604e+06    3.46091e+05   -1.38995e+06    3.80540e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10603e+02   -2.12903e+02    5.39025e+01    3.79377e-06

           Step           Time
      241190000   482380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40405e+03    1.81837e+04    1.23828e+04    1.07110e+03   -2.90066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43836e+03    1.04276e+05    2.78439e+05   -1.72293e+04   -2.15633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18837e+04   -1.73839e+06    3.45932e+05   -1.39245e+06    3.80360e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10461e+02   -2.12977e+02   -7.81538e+01    3.60715e-06

           Step           Time
      241195000   482390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49691e+03    1.79950e+04    1.23962e+04    1.03617e+03   -2.98930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49597e+03    1.04140e+05    2.77412e+05   -1.71976e+04   -2.15192e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20885e+04   -1.73505e+06    3.46429e+05   -1.38862e+06    3.80314e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10907e+02   -2.12197e+02   -1.48763e+02    3.55936e-06

           Step           Time
      241200000   482400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46131e+03    1.83327e+04    1.22676e+04    1.06296e+03   -2.97617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45252e+03    1.04474e+05    2.80158e+05   -1.72088e+04   -2.15654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19558e+04   -1.73657e+06    3.45077e+05   -1.39149e+06    3.81188e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09693e+02   -2.12473e+02    3.88989e+01    3.58243e-06

           Step           Time
      241205000   482410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64349e+03    1.79536e+04    1.23634e+04    1.08223e+03   -2.93571e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54005e+03    1.04664e+05    2.78599e+05   -1.72005e+04   -2.15534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19830e+04   -1.73664e+06    3.47748e+05   -1.38889e+06    3.81368e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12091e+02   -2.12267e+02   -8.00072e+01    3.60843e-06

           Step           Time
      241210000   482420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35047e+03    1.79729e+04    1.24386e+04    1.03160e+03   -2.94158e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42798e+03    1.04302e+05    2.83435e+05   -1.71831e+04   -2.16157e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20864e+04   -1.73865e+06    3.44677e+05   -1.39397e+06    3.81391e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09334e+02   -2.11839e+02    4.90508e+01    3.76086e-06

           Step           Time
      241215000   482430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47459e+03    1.82731e+04    1.22250e+04    1.10857e+03   -2.85302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51461e+03    1.04220e+05    2.81120e+05   -1.72036e+04   -2.15627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20198e+04   -1.73537e+06    3.47177e+05   -1.38819e+06    3.81104e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11578e+02   -2.12345e+02    2.01407e+01    3.65046e-06

           Step           Time
      241220000   482440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53858e+03    1.82106e+04    1.22636e+04    1.19128e+03   -2.89601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42042e+03    1.04552e+05    2.80798e+05   -1.71750e+04   -2.15444e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21725e+04   -1.73336e+06    3.45880e+05   -1.38748e+06    3.82245e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10414e+02   -2.11640e+02    3.08171e+01    3.50290e-06

           Step           Time
      241225000   482450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72033e+03    1.83936e+04    1.21253e+04    1.05012e+03   -2.69996e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57280e+03    1.04242e+05    2.80344e+05   -1.71788e+04   -2.15412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20433e+04   -1.73351e+06    3.45772e+05   -1.38774e+06    3.82352e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10317e+02   -2.11732e+02   -1.46265e+01    3.63241e-06

           Step           Time
      241230000   482460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43900e+03    1.79353e+04    1.23083e+04    1.04214e+03   -2.82044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57690e+03    1.04538e+05    2.80604e+05   -1.71727e+04   -2.15468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18779e+04   -1.73435e+06    3.48021e+05   -1.38633e+06    3.82139e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12335e+02   -2.11583e+02    3.58499e+01    3.52878e-06

           Step           Time
      241235000   482470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47763e+03    1.82798e+04    1.21228e+04    9.96583e+02   -2.85066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45161e+03    1.04562e+05    2.81998e+05   -1.71891e+04   -2.15720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19736e+04   -1.73538e+06    3.43460e+05   -1.39192e+06    3.83008e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08242e+02   -2.11988e+02   -1.28614e+01    3.69502e-06

           Step           Time
      241240000   482480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54029e+03    1.81904e+04    1.21780e+04    9.66313e+02   -2.84342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57928e+03    1.04298e+05    2.81981e+05   -1.72056e+04   -2.16018e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19576e+04   -1.73854e+06    3.46202e+05   -1.39234e+06    3.83372e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10703e+02   -2.12393e+02    2.20890e+01    3.60381e-06

           Step           Time
      241245000   482490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54977e+03    1.79019e+04    1.22062e+04    1.09044e+03   -2.75665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46713e+03    1.04741e+05    2.82091e+05   -1.71890e+04   -2.15639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19761e+04   -1.73432e+06    3.45837e+05   -1.38848e+06    3.83570e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10375e+02   -2.11985e+02    3.95898e+01    3.56214e-06

           Step           Time
      241250000   482500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58582e+03    1.82216e+04    1.23847e+04    1.06186e+03   -2.83802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50400e+03    1.04438e+05    2.79959e+05   -1.71621e+04   -2.15249e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20661e+04   -1.73227e+06    3.46276e+05   -1.38600e+06    3.83422e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10769e+02   -2.11322e+02    1.47025e+01    3.57243e-06

           Step           Time
      241255000   482510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68679e+03    1.85926e+04    1.23417e+04    1.16913e+03   -2.76834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44717e+03    1.04088e+05    2.81839e+05   -1.71676e+04   -2.15386e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22061e+04   -1.73143e+06    3.45892e+05   -1.38553e+06    3.84326e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10425e+02   -2.11457e+02    7.10363e+01    3.51340e-06

           Step           Time
      241260000   482520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53898e+03    1.79021e+04    1.24197e+04    1.14557e+03   -2.91703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49565e+03    1.03611e+05    2.81252e+05   -1.71752e+04   -2.15750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19696e+04   -1.73726e+06    3.47476e+05   -1.38978e+06    3.83952e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11846e+02   -2.11644e+02   -1.24008e+01    3.48444e-06

           Step           Time
      241265000   482530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41539e+03    1.80450e+04    1.24466e+04    1.09391e+03   -2.78138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47537e+03    1.03815e+05    2.82484e+05   -1.72229e+04   -2.15792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20557e+04   -1.73609e+06    3.45855e+05   -1.39024e+06    3.83989e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10391e+02   -2.12820e+02    4.62893e+01    3.63658e-06

           Step           Time
      241270000   482540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72594e+03    1.83118e+04    1.22042e+04    1.03649e+03   -2.74250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40569e+03    1.03931e+05    2.82677e+05   -1.71648e+04   -2.15757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19535e+04   -1.73523e+06    3.45255e+05   -1.38998e+06    3.84842e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09853e+02   -2.11389e+02    3.00444e+01    3.62124e-06

           Step           Time
      241275000   482550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48999e+03    1.80988e+04    1.22158e+04    1.12894e+03   -2.89890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44493e+03    1.03951e+05    2.81152e+05   -1.71811e+04   -2.15567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20829e+04   -1.73519e+06    3.47109e+05   -1.38808e+06    3.84916e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11517e+02   -2.11789e+02    3.63466e+01    3.56920e-06

           Step           Time
      241280000   482560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55676e+03    1.78912e+04    1.24141e+04    1.08515e+03   -2.75885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35456e+03    1.04107e+05    2.81764e+05   -1.71774e+04   -2.15659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20962e+04   -1.73525e+06    3.45823e+05   -1.38943e+06    3.84960e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10363e+02   -2.11699e+02    4.01007e+01    3.65089e-06

           Step           Time
      241285000   482570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46142e+03    1.79962e+04    1.23899e+04    1.10644e+03   -2.86661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40179e+03    1.04250e+05    2.80843e+05   -1.72311e+04   -2.15610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21041e+04   -1.73564e+06    3.45415e+05   -1.39022e+06    3.85828e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09997e+02   -2.13023e+02    5.94221e+01    3.63825e-06

           Step           Time
      241290000   482580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40295e+03    1.81089e+04    1.23682e+04    1.13251e+03   -2.84607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51354e+03    1.04185e+05    2.80204e+05   -1.71943e+04   -2.15478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20443e+04   -1.73486e+06    3.44532e+05   -1.39033e+06    3.85974e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09204e+02   -2.12114e+02   -3.37392e+01    3.65560e-06

           Step           Time
      241295000   482590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62881e+03    1.85258e+04    1.24055e+04    1.06055e+03   -2.73407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49506e+03    1.03612e+05    2.81953e+05   -1.71795e+04   -2.15626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19864e+04   -1.73451e+06    3.47078e+05   -1.38743e+06    3.86895e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11489e+02   -2.11750e+02    3.56181e+01    3.39326e-06

           Step           Time
      241300000   482600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57614e+03    1.83292e+04    1.24021e+04    1.03043e+03   -2.91516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51868e+03    1.04255e+05    2.78933e+05   -1.72148e+04   -2.15489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20236e+04   -1.73595e+06    3.47308e+05   -1.38864e+06    3.86872e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11696e+02   -2.12621e+02   -7.40550e+01    3.70198e-06

           Step           Time
      241305000   482610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61208e+03    1.80790e+04    1.22773e+04    1.03780e+03   -2.75958e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51993e+03    1.04016e+05    2.79357e+05   -1.72174e+04   -2.15198e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20533e+04   -1.73300e+06    3.46195e+05   -1.38681e+06    3.86812e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10696e+02   -2.12685e+02    1.68646e+01    3.65665e-06

           Step           Time
      241310000   482620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55542e+03    1.81699e+04    1.23061e+04    1.08275e+03   -2.89744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55357e+03    1.04357e+05    2.77980e+05   -1.71872e+04   -2.15294e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19009e+04   -1.73512e+06    3.47055e+05   -1.38807e+06    3.87231e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11468e+02   -2.11941e+02   -1.12207e+02    3.59669e-06

           Step           Time
      241315000   482630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54817e+03    1.83240e+04    1.23494e+04    1.12712e+03   -2.91481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47088e+03    1.03992e+05    2.81684e+05   -1.71677e+04   -2.15840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19332e+04   -1.73706e+06    3.46388e+05   -1.39067e+06    3.87822e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10869e+02   -2.11461e+02   -1.07920e+01    3.63654e-06

           Step           Time
      241320000   482640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40893e+03    1.87040e+04    1.23871e+04    1.01668e+03   -2.87101e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40482e+03    1.03568e+05    2.81769e+05   -1.71709e+04   -2.15350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20150e+04   -1.73227e+06    3.48941e+05   -1.38332e+06    3.87819e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13161e+02   -2.11539e+02    3.19551e+01    3.63931e-06

           Step           Time
      241325000   482650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47649e+03    1.85193e+04    1.23228e+04    1.08027e+03   -2.83958e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33639e+03    1.03947e+05    2.82551e+05   -1.71748e+04   -2.15707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20425e+04   -1.73481e+06    3.45489e+05   -1.38932e+06    3.88421e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10063e+02   -2.11634e+02    9.21236e+00    3.59533e-06

           Step           Time
      241330000   482660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42491e+03    1.82638e+04    1.23109e+04    1.14484e+03   -2.90931e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52818e+03    1.04057e+05    2.78468e+05   -1.71850e+04   -2.15026e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20178e+04   -1.73214e+06    3.47502e+05   -1.38464e+06    3.88568e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11870e+02   -2.11887e+02   -2.10299e+01    3.66265e-06

           Step           Time
      241335000   482670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63801e+03    1.80536e+04    1.21756e+04    1.05096e+03   -2.80042e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52495e+03    1.04607e+05    2.81718e+05   -1.72208e+04   -2.15544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19570e+04   -1.73374e+06    3.45080e+05   -1.38866e+06    3.89278e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09695e+02   -2.12769e+02    4.54404e+01    3.68874e-06

           Step           Time
      241340000   482680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70548e+03    1.86072e+04    1.23877e+04    1.08030e+03   -2.92404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47244e+03    1.03076e+05    2.81166e+05   -1.72026e+04   -2.15379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22283e+04   -1.73319e+06    3.47235e+05   -1.38596e+06    3.89036e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11630e+02   -2.12320e+02    4.55258e+01    3.80519e-06

           Step           Time
      241345000   482690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48970e+03    1.82179e+04    1.21471e+04    1.03735e+03   -2.86406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50178e+03    1.03959e+05    2.82786e+05   -1.72101e+04   -2.15802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20167e+04   -1.73594e+06    3.46099e+05   -1.38984e+06    3.89244e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10611e+02   -2.12504e+02    8.92334e+01    3.62275e-06

           Step           Time
      241350000   482700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45103e+03    1.85124e+04    1.25809e+04    1.13823e+03   -2.82617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57162e+03    1.03755e+05    2.82325e+05   -1.71506e+04   -2.15764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21144e+04   -1.73517e+06    3.45389e+05   -1.38978e+06    3.90104e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09973e+02   -2.11039e+02    7.92549e+01    3.39255e-06

           Step           Time
      241355000   482710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52621e+03    1.87638e+04    1.24721e+04    1.06532e+03   -2.80312e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46553e+03    1.03645e+05    2.79792e+05   -1.71455e+04   -2.15340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20109e+04   -1.73361e+06    3.49349e+05   -1.38426e+06    3.89580e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13527e+02   -2.10914e+02   -7.50475e+01    3.64087e-06

           Step           Time
      241360000   482720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41710e+03    1.85315e+04    1.23627e+04    1.01084e+03   -2.79583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44675e+03    1.03897e+05    2.80555e+05   -1.71497e+04   -2.15537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21521e+04   -1.73494e+06    3.45076e+05   -1.38986e+06    3.90455e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09692e+02   -2.11017e+02   -4.29520e+00    3.65617e-06

           Step           Time
      241365000   482730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52349e+03    1.83053e+04    1.21772e+04    1.11156e+03   -2.76220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46182e+03    1.03807e+05    2.82285e+05   -1.71976e+04   -2.15791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20760e+04   -1.73613e+06    3.46012e+05   -1.39012e+06    3.90540e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10532e+02   -2.12195e+02    5.57699e+01    3.54504e-06

           Step           Time
      241370000   482740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33530e+03    1.82887e+04    1.23988e+04    1.04564e+03   -2.81113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44466e+03    1.03559e+05    2.80550e+05   -1.71723e+04   -2.15810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21437e+04   -1.73832e+06    3.48171e+05   -1.39015e+06    3.90465e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12470e+02   -2.11573e+02   -4.96747e+01    3.58590e-06

           Step           Time
      241375000   482750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45724e+03    1.81558e+04    1.22629e+04    1.11936e+03   -2.85769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44534e+03    1.04276e+05    2.81096e+05   -1.71532e+04   -2.15624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20445e+04   -1.73539e+06    3.46109e+05   -1.38928e+06    3.91208e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10620e+02   -2.11103e+02   -7.01085e+01    3.64447e-06

           Step           Time
      241380000   482760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53928e+03    1.80639e+04    1.24957e+04    1.10804e+03   -2.89121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40002e+03    1.04020e+05    2.78781e+05   -1.72082e+04   -2.15460e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19952e+04   -1.73629e+06    3.47140e+05   -1.38915e+06    3.91766e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11545e+02   -2.12458e+02   -9.09180e+01    3.61488e-06

           Step           Time
      241385000   482770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82888e+03    1.84214e+04    1.23004e+04    1.11579e+03   -2.76243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41137e+03    1.03887e+05    2.81158e+05   -1.71513e+04   -2.15208e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20144e+04   -1.73086e+06    3.45829e+05   -1.38503e+06    3.92645e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10368e+02   -2.11057e+02    3.72563e+00    3.52655e-06

           Step           Time
      241390000   482780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51576e+03    1.81042e+04    1.22980e+04    1.12993e+03   -2.85235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51309e+03    1.03740e+05    2.79555e+05   -1.72233e+04   -2.15293e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18618e+04   -1.73429e+06    3.47120e+05   -1.38717e+06    3.91908e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11526e+02   -2.12829e+02    1.59157e+01    3.62694e-06

           Step           Time
      241395000   482790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36145e+03    1.83831e+04    1.23736e+04    1.09414e+03   -2.79797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45272e+03    1.03836e+05    2.80608e+05   -1.71741e+04   -2.15474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20072e+04   -1.73460e+06    3.44437e+05   -1.39016e+06    3.92522e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09119e+02   -2.11618e+02    2.52534e+01    3.76804e-06

           Step           Time
      241400000   482800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45142e+03    1.82671e+04    1.23274e+04    1.04904e+03   -2.80281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51055e+03    1.03969e+05    2.78778e+05   -1.71534e+04   -2.15147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20512e+04   -1.73302e+06    3.45280e+05   -1.38774e+06    3.92249e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09876e+02   -2.11109e+02   -9.68986e+01    3.79677e-06

           Step           Time
      241405000   482810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49015e+03    1.83141e+04    1.22984e+04    1.06165e+03   -2.89630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45729e+03    1.03770e+05    2.80442e+05   -1.72007e+04   -2.15573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19658e+04   -1.73603e+06    3.45721e+05   -1.39031e+06    3.92918e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10271e+02   -2.12272e+02   -1.50039e+01    3.51705e-06

           Step           Time
      241410000   482820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58257e+03    1.80741e+04    1.21917e+04    1.03534e+03   -2.84612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45122e+03    1.03683e+05    2.78066e+05   -1.71794e+04   -2.15064e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21997e+04   -1.73338e+06    3.47342e+05   -1.38604e+06    3.92595e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11726e+02   -2.11748e+02   -1.26552e+02    3.53983e-06

           Step           Time
      241415000   482830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66552e+03    1.81345e+04    1.22050e+04    1.09660e+03   -2.73524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56544e+03    1.04212e+05    2.80270e+05   -1.71841e+04   -2.15342e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21300e+04   -1.73306e+06    3.49119e+05   -1.38394e+06    3.92881e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13320e+02   -2.11862e+02    9.24216e+00    3.75908e-06

           Step           Time
      241420000   482840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.19372e+03    1.83013e+04    1.23059e+04    1.04831e+03   -2.73117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62218e+03    1.04035e+05    2.80863e+05   -1.71570e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20676e+04   -1.73669e+06    3.45207e+05   -1.39148e+06    3.93518e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09810e+02   -2.11197e+02   -3.57950e+01    3.58082e-06

           Step           Time
      241425000   482850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41597e+03    1.87079e+04    1.22160e+04    1.09951e+03   -2.83489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51010e+03    1.04285e+05    2.81677e+05   -1.72048e+04   -2.15559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19883e+04   -1.73373e+06    3.46409e+05   -1.38732e+06    3.93796e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10889e+02   -2.12373e+02    7.09076e+01    3.55184e-06

           Step           Time
      241430000   482860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46761e+03    1.83833e+04    1.23980e+04    1.12485e+03   -2.90047e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56004e+03    1.04276e+05    2.80092e+05   -1.71823e+04   -2.15261e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19985e+04   -1.73239e+06    3.46922e+05   -1.38547e+06    3.93890e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11349e+02   -2.11818e+02    1.64625e+01    3.56832e-06

           Step           Time
      241435000   482870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57040e+03    1.82963e+04    1.21513e+04    1.06825e+03   -2.87209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43739e+03    1.03925e+05    2.84252e+05   -1.71817e+04   -2.15809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19423e+04   -1.73450e+06    3.49764e+05   -1.38473e+06    3.93738e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13900e+02   -2.11804e+02    9.99565e+01    3.58843e-06

           Step           Time
      241440000   482880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44993e+03    1.84250e+04    1.23154e+04    1.08528e+03   -2.79515e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47481e+03    1.04222e+05    2.79656e+05   -1.71868e+04   -2.15412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19380e+04   -1.73453e+06    3.48078e+05   -1.38645e+06    3.94250e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12386e+02   -2.11930e+02   -7.08450e+00    3.53584e-06

           Step           Time
      241445000   482890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46096e+03    1.82063e+04    1.24181e+04    1.07634e+03   -2.93232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62783e+03    1.03787e+05    2.81021e+05   -1.71588e+04   -2.15446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20112e+04   -1.73394e+06    3.46144e+05   -1.38780e+06    3.94585e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10651e+02   -2.11241e+02    3.39425e+00    3.59923e-06

           Step           Time
      241450000   482900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61934e+03    1.78071e+04    1.24689e+04    1.18246e+03   -2.84338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38023e+03    1.04094e+05    2.79918e+05   -1.71830e+04   -2.15678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18781e+04   -1.73746e+06    3.46969e+05   -1.39049e+06    3.94181e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11391e+02   -2.11836e+02   -1.07416e+02    3.58263e-06

           Step           Time
      241455000   482910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47602e+03    1.82750e+04    1.23327e+04    1.15633e+03   -2.83740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51429e+03    1.04354e+05    2.80478e+05   -1.72031e+04   -2.15647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17847e+04   -1.73614e+06    3.46602e+05   -1.38953e+06    3.95211e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11062e+02   -2.12331e+02    1.25276e+01    3.75228e-06

           Step           Time
      241460000   482920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52559e+03    1.80258e+04    1.24911e+04    1.08516e+03   -2.92171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43832e+03    1.03971e+05    2.81379e+05   -1.71922e+04   -2.15748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20802e+04   -1.73659e+06    3.45399e+05   -1.39119e+06    3.95280e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09982e+02   -2.12063e+02   -1.15378e+01    3.73240e-06

           Step           Time
      241465000   482930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46327e+03    1.80461e+04    1.21981e+04    1.07577e+03   -2.89184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49816e+03    1.04161e+05    2.81057e+05   -1.72158e+04   -2.15708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21357e+04   -1.73655e+06    3.44845e+05   -1.39170e+06    3.95546e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09485e+02   -2.12646e+02   -2.20263e+01    3.75482e-06

           Step           Time
      241470000   482940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43219e+03    1.81604e+04    1.23442e+04    1.12853e+03   -2.95855e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52240e+03    1.04274e+05    2.79038e+05   -1.71910e+04   -2.15333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20865e+04   -1.73449e+06    3.46601e+05   -1.38789e+06    3.96071e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11061e+02   -2.12033e+02   -5.89581e+01    3.82309e-06

           Step           Time
      241475000   482950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43313e+03    1.80051e+04    1.22514e+04    1.03988e+03   -2.85293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55395e+03    1.04728e+05    2.80915e+05   -1.71947e+04   -2.15723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20767e+04   -1.73627e+06    3.46314e+05   -1.38996e+06    3.96669e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10804e+02   -2.12125e+02    7.41907e+01    3.67667e-06

           Step           Time
      241480000   482960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34164e+03    1.80345e+04    1.22897e+04    1.10803e+03   -2.76308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50474e+03    1.04284e+05    2.79173e+05   -1.71938e+04   -2.15575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18147e+04   -1.73715e+06    3.45987e+05   -1.39117e+06    3.96545e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10510e+02   -2.12103e+02   -9.70339e+01    3.68706e-06

           Step           Time
      241485000   482970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46424e+03    1.83936e+04    1.23686e+04    1.18425e+03   -2.88713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48361e+03    1.04065e+05    2.80478e+05   -1.71927e+04   -2.15597e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21041e+04   -1.73551e+06    3.48475e+05   -1.38703e+06    3.97205e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12743e+02   -2.12076e+02   -1.15568e-01    3.67685e-06

           Step           Time
      241490000   482980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46947e+03    1.78436e+04    1.24310e+04    1.08257e+03   -2.81286e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44357e+03    1.04561e+05    2.78979e+05   -1.71751e+04   -2.15407e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18507e+04   -1.73539e+06    3.47864e+05   -1.38753e+06    3.96726e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12194e+02   -2.11641e+02   -8.86722e+01    3.63454e-06

           Step           Time
      241495000   482990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76742e+03    1.83001e+04    1.25200e+04    1.16328e+03   -2.87848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43571e+03    1.04048e+05    2.80746e+05   -1.71433e+04   -2.15171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21574e+04   -1.73060e+06    3.49528e+05   -1.38107e+06    3.97525e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13688e+02   -2.10860e+02   -9.29615e+00    3.64092e-06

           Step           Time
      241500000   483000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82840e+03    1.82661e+04    1.25573e+04    1.14529e+03   -2.92440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56994e+03    1.03425e+05    2.82528e+05   -1.71866e+04   -2.15558e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20462e+04   -1.73332e+06    3.47990e+05   -1.38533e+06    3.98101e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12308e+02   -2.11926e+02    9.60472e+01    3.58631e-06

Writing checkpoint, step 241501100 at Sat Dec  2 01:53:07 2023


           Step           Time
      241505000   483010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47824e+03    1.81072e+04    1.22868e+04    1.04364e+03   -2.88397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56957e+03    1.03833e+05    2.82157e+05   -1.71558e+04   -2.15703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18959e+04   -1.73570e+06    3.45733e+05   -1.38997e+06    3.98149e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10282e+02   -2.11168e+02    7.22102e+01    3.71059e-06

           Step           Time
      241510000   483020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60456e+03    1.83768e+04    1.23201e+04    1.12794e+03   -2.91038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37741e+03    1.03559e+05    2.82395e+05   -1.71789e+04   -2.15932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19792e+04   -1.73767e+06    3.45448e+05   -1.39222e+06    3.98759e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10026e+02   -2.11734e+02   -6.43469e+01    3.46379e-06

           Step           Time
      241515000   483030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52990e+03    1.81971e+04    1.23010e+04    1.13976e+03   -2.71567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59428e+03    1.03822e+05    2.79879e+05   -1.71610e+04   -2.15357e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17858e+04   -1.73420e+06    3.46201e+05   -1.38800e+06    3.98468e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10702e+02   -2.11295e+02   -3.37043e+01    3.73045e-06

           Step           Time
      241520000   483040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56411e+03    1.81822e+04    1.24455e+04    1.10766e+03   -2.83991e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49816e+03    1.03930e+05    2.79722e+05   -1.71850e+04   -2.15479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19621e+04   -1.73540e+06    3.46254e+05   -1.38914e+06    3.98419e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10750e+02   -2.11885e+02   -1.86162e+01    3.75678e-06

           Step           Time
      241525000   483050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45669e+03    1.82991e+04    1.22287e+04    1.09152e+03   -2.76993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47667e+03    1.03852e+05    2.80720e+05   -1.71710e+04   -2.15749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21456e+04   -1.73716e+06    3.47512e+05   -1.38965e+06    3.99130e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11878e+02   -2.11540e+02   -1.16705e+01    3.58269e-06

           Step           Time
      241530000   483060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64987e+03    1.82438e+04    1.22618e+04    1.12143e+03   -2.86642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50157e+03    1.03829e+05    2.79046e+05   -1.71596e+04   -2.15242e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20716e+04   -1.73372e+06    3.46481e+05   -1.38724e+06    3.99441e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10953e+02   -2.11260e+02   -6.65469e+01    3.98410e-06

           Step           Time
      241535000   483070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63152e+03    1.85863e+04    1.22555e+04    1.03092e+03   -2.73487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50299e+03    1.03464e+05    2.82065e+05   -1.71571e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20959e+04   -1.73400e+06    3.46730e+05   -1.38727e+06    3.99610e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11177e+02   -2.11198e+02    5.35086e+01    3.63464e-06

           Step           Time
      241540000   483080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58075e+03    1.81797e+04    1.22332e+04    1.06003e+03   -2.83952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49772e+03    1.04105e+05    2.81172e+05   -1.71648e+04   -2.15478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22338e+04   -1.73372e+06    3.46566e+05   -1.38715e+06    3.99870e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11030e+02   -2.11389e+02    3.52883e+01    3.79463e-06

           Step           Time
      241545000   483090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79628e+03    1.81965e+04    1.23501e+04    1.12802e+03   -2.80144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37063e+03    1.03847e+05    2.81014e+05   -1.71837e+04   -2.15522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18972e+04   -1.73461e+06    3.46600e+05   -1.38801e+06    4.00200e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11060e+02   -2.11855e+02   -7.28992e+01    3.59605e-06

           Step           Time
      241550000   483100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63982e+03    1.81104e+04    1.22921e+04    1.07699e+03   -2.83125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48821e+03    1.03796e+05    2.83262e+05   -1.71978e+04   -2.15828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20624e+04   -1.73559e+06    3.47939e+05   -1.38765e+06    4.00701e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12262e+02   -2.12200e+02    9.43686e+01    3.72822e-06

           Step           Time
      241555000   483110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78709e+03    1.83062e+04    1.23422e+04    1.13288e+03   -2.90526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51670e+03    1.03590e+05    2.81282e+05   -1.71762e+04   -2.15608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19510e+04   -1.73526e+06    3.47434e+05   -1.38782e+06    4.00616e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11809e+02   -2.11670e+02    1.06617e+01    3.78032e-06

           Step           Time
      241560000   483120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63295e+03    1.80361e+04    1.22504e+04    1.11349e+03   -2.78557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49994e+03    1.04147e+05    2.83707e+05   -1.71962e+04   -2.15897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19730e+04   -1.73559e+06    3.44360e+05   -1.39123e+06    4.01585e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09050e+02   -2.12163e+02    1.01413e+02    3.61295e-06

           Step           Time
      241565000   483130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29174e+03    1.83880e+04    1.21407e+04    1.04373e+03   -2.86326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59002e+03    1.04145e+05    2.80791e+05   -1.71505e+04   -2.15515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21260e+04   -1.73465e+06    3.45762e+05   -1.38889e+06    4.01610e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10308e+02   -2.11038e+02    2.43821e+01    3.64191e-06

           Step           Time
      241570000   483140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54720e+03    1.79604e+04    1.21642e+04    1.05453e+03   -2.76828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53145e+03    1.04047e+05    2.79718e+05   -1.71604e+04   -2.15296e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21071e+04   -1.73376e+06    3.43393e+05   -1.39036e+06    4.01875e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08182e+02   -2.11281e+02   -2.78163e+01    3.62905e-06

           Step           Time
      241575000   483150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71718e+03    1.84079e+04    1.22970e+04    1.06274e+03   -2.83041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40022e+03    1.03571e+05    2.80104e+05   -1.72124e+04   -2.15617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19044e+04   -1.73675e+06    3.45954e+05   -1.39080e+06    4.02185e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10481e+02   -2.12560e+02   -7.94855e+01    3.69456e-06

           Step           Time
      241580000   483160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76616e+03    1.80973e+04    1.21606e+04    1.06101e+03   -2.78478e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52889e+03    1.03942e+05    2.81248e+05   -1.72177e+04   -2.15456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18813e+04   -1.73387e+06    3.46012e+05   -1.38786e+06    4.02809e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10532e+02   -2.12692e+02    1.62566e+01    3.70875e-06

           Step           Time
      241585000   483170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55923e+03    1.77492e+04    1.21556e+04    1.09512e+03   -2.72500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49886e+03    1.04411e+05    2.80081e+05   -1.71842e+04   -2.15413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22089e+04   -1.73428e+06    3.45083e+05   -1.38920e+06    4.03030e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09698e+02   -2.11867e+02   -2.65616e+01    3.53831e-06

           Step           Time
      241590000   483180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51094e+03    1.83080e+04    1.24805e+04    1.12985e+03   -2.83548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49213e+03    1.03578e+05    2.80289e+05   -1.72077e+04   -2.15414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19965e+04   -1.73439e+06    3.44184e+05   -1.39021e+06    4.03195e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08892e+02   -2.12444e+02    5.11262e+00    3.84359e-06

           Step           Time
      241595000   483190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51477e+03    1.83272e+04    1.21491e+04    1.10327e+03   -2.85151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65971e+03    1.03888e+05    2.82331e+05   -1.72010e+04   -2.15720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20087e+04   -1.73527e+06    3.44958e+05   -1.39032e+06    4.03345e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09586e+02   -2.12280e+02    1.39131e+02    3.82905e-06

           Step           Time
      241600000   483200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40480e+03    1.80167e+04    1.23446e+04    1.20944e+03   -2.99954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59940e+03    1.04214e+05    2.81492e+05   -1.71863e+04   -2.15688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21235e+04   -1.73567e+06    3.46415e+05   -1.38925e+06    4.03349e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10894e+02   -2.11917e+02    1.07013e+01    3.83672e-06

           Step           Time
      241605000   483210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34720e+03    1.85776e+04    1.24342e+04    1.04109e+03   -2.78711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50754e+03    1.03948e+05    2.81070e+05   -1.72162e+04   -2.15584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20355e+04   -1.73488e+06    3.47143e+05   -1.38774e+06    4.03724e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11547e+02   -2.12655e+02    5.58179e+01    3.79237e-06

           Step           Time
      241610000   483220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42235e+03    1.83671e+04    1.24293e+04    1.07393e+03   -2.94620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48423e+03    1.04073e+05    2.80419e+05   -1.71860e+04   -2.15624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21779e+04   -1.73593e+06    3.47367e+05   -1.38856e+06    4.03736e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11748e+02   -2.11911e+02   -4.28183e+01    3.58053e-06

           Step           Time
      241615000   483230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43580e+03    1.84866e+04    1.25154e+04    1.10851e+03   -2.77137e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48693e+03    1.03512e+05    2.81748e+05   -1.71735e+04   -2.15492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19929e+04   -1.73358e+06    3.46976e+05   -1.38660e+06    4.04215e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11397e+02   -2.11603e+02    3.26626e+01    3.84353e-06

           Step           Time
      241620000   483240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59031e+03    1.80036e+04    1.22973e+04    9.90399e+02   -2.91700e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38121e+03    1.04165e+05    2.81146e+05   -1.71744e+04   -2.15671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20966e+04   -1.73613e+06    3.44761e+05   -1.39137e+06    4.04591e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09410e+02   -2.11625e+02   -7.91231e+01    3.65081e-06

           Step           Time
      241625000   483250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61484e+03    1.83614e+04    1.23888e+04    1.09234e+03   -2.81347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40976e+03    1.03652e+05    2.79620e+05   -1.71747e+04   -2.15356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20774e+04   -1.73433e+06    3.46682e+05   -1.38764e+06    4.04282e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11134e+02   -2.11633e+02   -9.32404e+01    3.75476e-06

           Step           Time
      241630000   483260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46983e+03    1.79957e+04    1.23122e+04    1.09744e+03   -2.74853e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56515e+03    1.04098e+05    2.82569e+05   -1.72495e+04   -2.15987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18763e+04   -1.73788e+06    3.45498e+05   -1.39238e+06    4.05020e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10071e+02   -2.13478e+02    3.41635e+01    3.48334e-06

           Step           Time
      241635000   483270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47779e+03    1.81276e+04    1.24511e+04    1.03985e+03   -2.76438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60052e+03    1.04337e+05    2.80656e+05   -1.71687e+04   -2.15678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18957e+04   -1.73613e+06    3.46573e+05   -1.38955e+06    4.05355e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11036e+02   -2.11484e+02   -1.64974e+01    3.65202e-06

           Step           Time
      241640000   483280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58055e+03    1.80172e+04    1.24075e+04    1.10434e+03   -2.72234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44667e+03    1.04816e+05    2.80607e+05   -1.71851e+04   -2.15570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18867e+04   -1.73474e+06    3.47770e+05   -1.38697e+06    4.05546e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12110e+02   -2.11888e+02   -1.71447e+01    3.53064e-06

           Step           Time
      241645000   483290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58490e+03    1.78243e+04    1.23197e+04    1.07780e+03   -2.85627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66467e+03    1.04367e+05    2.81315e+05   -1.71780e+04   -2.15789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20375e+04   -1.73673e+06    3.46812e+05   -1.38992e+06    4.05716e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11250e+02   -2.11713e+02   -5.36090e+01    3.54921e-06

           Step           Time
      241650000   483300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90004e+03    1.83786e+04    1.20748e+04    1.06883e+03   -2.77843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39519e+03    1.03783e+05    2.81915e+05   -1.71830e+04   -2.15772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20288e+04   -1.73613e+06    3.45781e+05   -1.39035e+06    4.06042e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10325e+02   -2.11836e+02    5.03746e+00    3.54817e-06

           Step           Time
      241655000   483310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57124e+03    1.83066e+04    1.23926e+04    1.13872e+03   -2.86757e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52374e+03    1.04860e+05    2.80692e+05   -1.71943e+04   -2.15458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20135e+04   -1.73314e+06    3.47594e+05   -1.38555e+06    4.06411e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11952e+02   -2.12115e+02    5.15964e+01    3.76835e-06

           Step           Time
      241660000   483320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70179e+03    1.79200e+04    1.21700e+04    1.09683e+03   -2.86711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47838e+03    1.04523e+05    2.84226e+05   -1.72302e+04   -2.16231e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19960e+04   -1.73830e+06    3.45671e+05   -1.39263e+06    4.06529e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10227e+02   -2.13001e+02    1.17675e+02    3.54546e-06

           Step           Time
      241665000   483330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67696e+03    1.82826e+04    1.23608e+04    1.06817e+03   -2.76612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41790e+03    1.03964e+05    2.79728e+05   -1.72076e+04   -2.15439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20315e+04   -1.73484e+06    3.45479e+05   -1.38936e+06    4.07136e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10054e+02   -2.12443e+02   -1.34219e+02    3.64805e-06

           Step           Time
      241670000   483340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55798e+03    1.81597e+04    1.22672e+04    1.04983e+03   -2.78999e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51541e+03    1.04486e+05    2.82227e+05   -1.71856e+04   -2.15877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19306e+04   -1.73655e+06    3.46534e+05   -1.39002e+06    4.06572e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11000e+02   -2.11899e+02    6.81472e+00    3.79763e-06

           Step           Time
      241675000   483350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56532e+03    1.83264e+04    1.21687e+04    1.09819e+03   -2.81018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46238e+03    1.03743e+05    2.79086e+05   -1.72027e+04   -2.15470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18252e+04   -1.73643e+06    3.47930e+05   -1.38850e+06    4.07231e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12254e+02   -2.12322e+02   -7.39057e+01    3.62850e-06

           Step           Time
      241680000   483360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52654e+03    1.82304e+04    1.22699e+04    1.11760e+03   -2.84248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59945e+03    1.03644e+05    2.82210e+05   -1.71916e+04   -2.15831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19049e+04   -1.73684e+06    3.46983e+05   -1.38986e+06    4.07346e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11404e+02   -2.12049e+02    9.78134e+01    3.74170e-06

           Step           Time
      241685000   483370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29162e+03    1.80727e+04    1.23507e+04    1.04393e+03   -2.89073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55481e+03    1.04409e+05    2.80248e+05   -1.72161e+04   -2.15625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18696e+04   -1.73652e+06    3.46670e+05   -1.38985e+06    4.07764e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11123e+02   -2.12653e+02    2.00148e+01    3.76191e-06

           Step           Time
      241690000   483380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34643e+03    1.83801e+04    1.22963e+04    1.12074e+03   -2.89225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60650e+03    1.04423e+05    2.82608e+05   -1.72265e+04   -2.15930e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18694e+04   -1.73677e+06    3.46382e+05   -1.39039e+06    4.08305e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10865e+02   -2.12909e+02    8.63458e+01    3.67583e-06

           Step           Time
      241695000   483390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57034e+03    1.83297e+04    1.23728e+04    1.13969e+03   -2.78961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46747e+03    1.03808e+05    2.80362e+05   -1.71811e+04   -2.15652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19770e+04   -1.73647e+06    3.46932e+05   -1.38953e+06    4.08361e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11358e+02   -2.11790e+02   -4.42194e+01    3.66137e-06

           Step           Time
      241700000   483400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53630e+03    1.84164e+04    1.23345e+04    1.10125e+03   -2.74482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50403e+03    1.03900e+05    2.79629e+05   -1.71907e+04   -2.15466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19088e+04   -1.73526e+06    3.45843e+05   -1.38942e+06    4.08664e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10381e+02   -2.12026e+02   -7.46195e+01    3.59405e-06

           Step           Time
      241705000   483410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43245e+03    1.83506e+04    1.22260e+04    1.10099e+03   -2.88168e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56408e+03    1.04576e+05    2.82418e+05   -1.72414e+04   -2.16043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17919e+04   -1.73809e+06    3.45722e+05   -1.39237e+06    4.08965e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10272e+02   -2.13278e+02    6.88044e+01    3.74118e-06

           Step           Time
      241710000   483420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64643e+03    1.82951e+04    1.23400e+04    1.09214e+03   -2.86844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39468e+03    1.04304e+05    2.81080e+05   -1.71520e+04   -2.15378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23438e+04   -1.73230e+06    3.47677e+05   -1.38463e+06    4.09188e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12026e+02   -2.11073e+02    8.89461e+00    3.66909e-06

           Step           Time
      241715000   483430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35328e+03    1.83501e+04    1.21418e+04    8.91739e+02   -2.84811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50431e+03    1.04205e+05    2.82158e+05   -1.71820e+04   -2.15769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19285e+04   -1.73618e+06    3.46804e+05   -1.38938e+06    4.09736e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11243e+02   -2.11813e+02    6.56178e+01    3.81353e-06

           Step           Time
      241720000   483440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44456e+03    1.82575e+04    1.24066e+04    1.10843e+03   -2.91133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50038e+03    1.03831e+05    2.83403e+05   -1.72334e+04   -2.15867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18915e+04   -1.73597e+06    3.43033e+05   -1.39293e+06    4.10365e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07859e+02   -2.13080e+02    1.30545e+02    3.65085e-06

           Step           Time
      241725000   483450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54994e+03    1.81697e+04    1.22812e+04    1.09237e+03   -2.84265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48914e+03    1.04412e+05    2.79704e+05   -1.71778e+04   -2.15475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20501e+04   -1.73502e+06    3.46960e+05   -1.38806e+06    4.10131e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11383e+02   -2.11708e+02    9.62005e+00    3.79387e-06

           Step           Time
      241730000   483460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63475e+03    1.79795e+04    1.25371e+04    1.08161e+03   -2.85167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42835e+03    1.03977e+05    2.81427e+05   -1.72054e+04   -2.15558e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20987e+04   -1.73448e+06    3.45003e+05   -1.38947e+06    4.10462e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09627e+02   -2.12388e+02    2.45268e+00    3.81788e-06

           Step           Time
      241735000   483470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51419e+03    1.79954e+04    1.22602e+04    1.09066e+03   -2.76872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45100e+03    1.04388e+05    2.82114e+05   -1.72176e+04   -2.15861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18738e+04   -1.73691e+06    3.45749e+05   -1.39116e+06    4.10614e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10296e+02   -2.12690e+02    1.92441e+01    3.41543e-06

           Step           Time
      241740000   483480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58886e+03    1.80188e+04    1.22461e+04    1.05516e+03   -2.79702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40700e+03    1.04669e+05    2.80142e+05   -1.71597e+04   -2.15362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20776e+04   -1.73337e+06    3.46888e+05   -1.38648e+06    4.10464e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11319e+02   -2.11264e+02   -6.03449e+01    3.71236e-06

           Step           Time
      241745000   483490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35162e+03    1.84181e+04    1.22874e+04    1.08895e+03   -2.86224e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45511e+03    1.04419e+05    2.81373e+05   -1.71805e+04   -2.15384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21594e+04   -1.73233e+06    3.47167e+05   -1.38517e+06    4.10974e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11569e+02   -2.11776e+02    2.96365e+01    3.57952e-06

           Step           Time
      241750000   483500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47839e+03    1.81985e+04    1.22210e+04    1.15071e+03   -2.84613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48417e+03    1.04278e+05    2.78822e+05   -1.72096e+04   -2.15377e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20161e+04   -1.73517e+06    3.46394e+05   -1.38878e+06    4.11175e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10875e+02   -2.12492e+02   -1.85255e+01    3.71056e-06

           Step           Time
      241755000   483510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47068e+03    1.79573e+04    1.21332e+04    1.07430e+03   -2.70866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48687e+03    1.04922e+05    2.82464e+05   -1.72220e+04   -2.15952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19183e+04   -1.73702e+06    3.45782e+05   -1.39124e+06    4.11618e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10326e+02   -2.12797e+02   -9.25211e+00    3.77827e-06

           Step           Time
      241760000   483520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24611e+03    1.80532e+04    1.21985e+04    1.09174e+03   -2.72919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49245e+03    1.04492e+05    2.79731e+05   -1.71855e+04   -2.15298e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21081e+04   -1.73348e+06    3.47196e+05   -1.38628e+06    4.11365e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11595e+02   -2.11897e+02    1.41813e+01    3.74706e-06

           Step           Time
      241765000   483530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57514e+03    1.81211e+04    1.22432e+04    1.08760e+03   -2.78859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49150e+03    1.04270e+05    2.78945e+05   -1.72027e+04   -2.15396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20389e+04   -1.73518e+06    3.45909e+05   -1.38927e+06    4.11890e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10440e+02   -2.12323e+02   -1.19594e+02    3.56784e-06

           Step           Time
      241770000   483540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69994e+03    1.83697e+04    1.23012e+04    1.19362e+03   -2.85557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59344e+03    1.04183e+05    2.81111e+05   -1.72044e+04   -2.15248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20888e+04   -1.73100e+06    3.47523e+05   -1.38348e+06    4.12319e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11888e+02   -2.12363e+02    1.12814e+02    3.70790e-06

           Step           Time
      241775000   483550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39522e+03    1.82418e+04    1.22890e+04    1.13757e+03   -2.84366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57087e+03    1.04741e+05    2.79663e+05   -1.71630e+04   -2.15379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21470e+04   -1.73361e+06    3.48224e+05   -1.38539e+06    4.12521e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12517e+02   -2.11345e+02    1.56523e+00    3.77483e-06

           Step           Time
      241780000   483560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76424e+03    1.80278e+04    1.22490e+04    1.10628e+03   -2.83774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49465e+03    1.04699e+05    2.79382e+05   -1.72414e+04   -2.15394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18624e+04   -1.73443e+06    3.46061e+05   -1.38837e+06    4.12958e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10577e+02   -2.13277e+02    6.13118e-01    3.66620e-06

           Step           Time
      241785000   483570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47553e+03    1.82310e+04    1.22966e+04    1.01802e+03   -2.81084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49350e+03    1.04167e+05    2.81674e+05   -1.71992e+04   -2.15551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20413e+04   -1.73413e+06    3.46140e+05   -1.38799e+06    4.12939e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10648e+02   -2.12236e+02    2.03654e+01    3.63666e-06

           Step           Time
      241790000   483580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52419e+03    1.82832e+04    1.22407e+04    1.07120e+03   -2.79318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43285e+03    1.04030e+05    2.80554e+05   -1.72044e+04   -2.15341e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21107e+04   -1.73316e+06    3.47350e+05   -1.38581e+06    4.13148e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11734e+02   -2.12364e+02    6.10982e+01    3.64505e-06

           Step           Time
      241795000   483590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35582e+03    1.78526e+04    1.24561e+04    1.10548e+03   -2.92705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48541e+03    1.04647e+05    2.81486e+05   -1.72066e+04   -2.15569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19800e+04   -1.73445e+06    3.44529e+05   -1.38992e+06    4.13760e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09201e+02   -2.12417e+02    9.19556e-01    3.73841e-06

           Step           Time
      241800000   483600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32861e+03    1.83649e+04    1.22778e+04    1.11602e+03   -2.83587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40250e+03    1.04260e+05    2.81523e+05   -1.72043e+04   -2.15674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20905e+04   -1.73542e+06    3.46539e+05   -1.38888e+06    4.13442e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11005e+02   -2.12361e+02    5.38461e+01    3.64237e-06

           Step           Time
      241805000   483610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50904e+03    1.82375e+04    1.21939e+04    9.96032e+02   -2.85592e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45603e+03    1.03933e+05    2.80369e+05   -1.72347e+04   -2.15699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18987e+04   -1.73749e+06    3.44574e+05   -1.39291e+06    4.14250e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09242e+02   -2.13110e+02   -3.02465e+01    3.79221e-06

           Step           Time
      241810000   483620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65088e+03    1.85478e+04    1.22351e+04    1.03273e+03   -2.77228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47800e+03    1.03954e+05    2.82038e+05   -1.71631e+04   -2.15713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21032e+04   -1.73502e+06    3.47752e+05   -1.38727e+06    4.14414e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12094e+02   -2.11347e+02   -7.27589e+00    3.69993e-06

           Step           Time
      241815000   483630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47119e+03    1.83835e+04    1.24366e+04    1.06820e+03   -2.85245e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52596e+03    1.04505e+05    2.78692e+05   -1.71796e+04   -2.15485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20754e+04   -1.73572e+06    3.46192e+05   -1.38953e+06    4.14389e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10694e+02   -2.11753e+02   -1.22372e+02    3.55977e-06

           Step           Time
      241820000   483640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63661e+03    1.80916e+04    1.23113e+04    1.06257e+03   -2.84988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44977e+03    1.04569e+05    2.80343e+05   -1.71698e+04   -2.15639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20777e+04   -1.73587e+06    3.45856e+05   -1.39001e+06    4.14908e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10393e+02   -2.11511e+02   -7.18364e+01    3.52061e-06

           Step           Time
      241825000   483650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50334e+03    1.84484e+04    1.23469e+04    1.12883e+03   -2.89167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45238e+03    1.04347e+05    2.78940e+05   -1.71817e+04   -2.15257e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20674e+04   -1.73341e+06    3.46986e+05   -1.38642e+06    4.14960e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11407e+02   -2.11805e+02   -6.71009e+01    3.79088e-06

           Step           Time
      241830000   483660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61995e+03    1.79302e+04    1.24084e+04    1.17413e+03   -2.87028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40573e+03    1.04149e+05    2.79207e+05   -1.72047e+04   -2.15508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20382e+04   -1.73622e+06    3.44745e+05   -1.39148e+06    4.15494e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09395e+02   -2.12372e+02   -7.57262e+01    3.62835e-06

           Step           Time
      241835000   483670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71122e+03    1.85825e+04    1.24374e+04    1.08305e+03   -2.90161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44933e+03    1.04255e+05    2.80893e+05   -1.71787e+04   -2.15595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18896e+04   -1.73473e+06    3.48934e+05   -1.38580e+06    4.15546e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13154e+02   -2.11732e+02   -5.99269e+01    3.70492e-06

           Step           Time
      241840000   483680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65962e+03    1.83174e+04    1.22163e+04    1.07498e+03   -2.74659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41941e+03    1.04436e+05    2.81380e+05   -1.72088e+04   -2.15518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21356e+04   -1.73349e+06    3.46619e+05   -1.38688e+06    4.16365e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11077e+02   -2.12471e+02    4.99618e+01    3.61615e-06

           Step           Time
      241845000   483690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56371e+03    1.82138e+04    1.21373e+04    1.01428e+03   -2.85253e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56940e+03    1.03932e+05    2.83206e+05   -1.72193e+04   -2.15822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20277e+04   -1.73563e+06    3.45948e+05   -1.38968e+06    4.16562e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10475e+02   -2.12731e+02    1.78894e+02    3.68859e-06

           Step           Time
      241850000   483700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64690e+03    1.87887e+04    1.25011e+04    1.07298e+03   -2.77639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39413e+03    1.03954e+05    2.79282e+05   -1.72014e+04   -2.15272e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19456e+04   -1.73311e+06    3.46276e+05   -1.38683e+06    4.17065e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10769e+02   -2.12290e+02   -2.16909e+01    3.66648e-06

           Step           Time
      241855000   483710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47255e+03    1.85318e+04    1.24480e+04    1.21205e+03   -2.79132e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49649e+03    1.03810e+05    2.80876e+05   -1.72020e+04   -2.15249e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20037e+04   -1.73163e+06    3.46408e+05   -1.38522e+06    4.17416e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10888e+02   -2.12305e+02    1.00842e+02    3.60613e-06

           Step           Time
      241860000   483720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50397e+03    1.86612e+04    1.22911e+04    1.18379e+03   -2.81030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35160e+03    1.03738e+05    2.77991e+05   -1.71630e+04   -2.15003e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23071e+04   -1.73198e+06    3.45259e+05   -1.38672e+06    4.17769e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09857e+02   -2.11344e+02   -8.30069e+01    3.59226e-06

           Step           Time
      241865000   483730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50598e+03    1.80155e+04    1.23019e+04    1.05355e+03   -2.76943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71495e+03    1.04233e+05    2.83067e+05   -1.72002e+04   -2.15861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21149e+04   -1.73557e+06    3.47011e+05   -1.38856e+06    4.17582e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11429e+02   -2.12260e+02    1.42643e+02    3.82886e-06

           Step           Time
      241870000   483740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40089e+03    1.81560e+04    1.21793e+04    1.13237e+03   -2.76836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52602e+03    1.04300e+05    2.81383e+05   -1.71842e+04   -2.15395e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18887e+04   -1.73294e+06    3.46653e+05   -1.38628e+06    4.17645e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11108e+02   -2.11867e+02    1.30457e+02    3.72618e-06

           Step           Time
      241875000   483750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53996e+03    1.81849e+04    1.21718e+04    1.07659e+03   -2.81765e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48217e+03    1.04193e+05    2.81545e+05   -1.72291e+04   -2.15726e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18570e+04   -1.73626e+06    3.45786e+05   -1.39047e+06    4.18312e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10329e+02   -2.12973e+02    5.84387e+01    3.66107e-06

           Step           Time
      241880000   483760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34833e+03    1.85950e+04    1.22636e+04    1.00208e+03   -2.82511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46135e+03    1.04380e+05    2.79456e+05   -1.71912e+04   -2.15573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19463e+04   -1.73630e+06    3.45160e+05   -1.39114e+06    4.18646e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09767e+02   -2.12039e+02   -1.23246e+02    3.53791e-06

           Step           Time
      241885000   483770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64802e+03    1.77806e+04    1.23796e+04    1.05899e+03   -2.76568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49484e+03    1.04722e+05    2.82248e+05   -1.72077e+04   -2.15942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19583e+04   -1.73711e+06    3.45208e+05   -1.39190e+06    4.18481e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09810e+02   -2.12445e+02    5.24681e+01    3.58117e-06

           Step           Time
      241890000   483780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46883e+03    1.82008e+04    1.24024e+04    1.13637e+03   -2.84921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48548e+03    1.04321e+05    2.80677e+05   -1.71952e+04   -2.15464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21865e+04   -1.73381e+06    3.46930e+05   -1.38688e+06    4.18768e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11356e+02   -2.12137e+02    8.53008e+01    3.66779e-06

           Step           Time
      241895000   483790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35982e+03    1.78791e+04    1.22703e+04    1.02239e+03   -2.77107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46594e+03    1.04312e+05    2.80970e+05   -1.71869e+04   -2.15612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19255e+04   -1.73587e+06    3.44484e+05   -1.39138e+06    4.19038e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09161e+02   -2.11933e+02    1.54232e+00    3.74754e-06

           Step           Time
      241900000   483800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54313e+03    1.84635e+04    1.25240e+04    1.04217e+03   -2.94198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54283e+03    1.04401e+05    2.81087e+05   -1.71975e+04   -2.15552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18408e+04   -1.73421e+06    3.48485e+05   -1.38573e+06    4.19800e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12752e+02   -2.12193e+02    2.15399e+01    3.67854e-06

           Step           Time
      241905000   483810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52027e+03    1.82590e+04    1.22689e+04    1.04819e+03   -2.67480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52445e+03    1.04307e+05    2.81768e+05   -1.71987e+04   -2.15678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20332e+04   -1.73492e+06    3.46948e+05   -1.38797e+06    4.20178e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11373e+02   -2.12223e+02    4.96914e+01    3.66893e-06

           Step           Time
      241910000   483820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36100e+03    1.80506e+04    1.24569e+04    1.20542e+03   -2.87021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60054e+03    1.04320e+05    2.80221e+05   -1.71916e+04   -2.15587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21297e+04   -1.73559e+06    3.46262e+05   -1.38933e+06    4.20248e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10757e+02   -2.12048e+02   -1.16350e+01    3.76052e-06

           Step           Time
      241915000   483830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33313e+03    1.81334e+04    1.24677e+04    1.11408e+03   -2.85551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74328e+03    1.04283e+05    2.82929e+05   -1.72186e+04   -2.15881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20104e+04   -1.73587e+06    3.46888e+05   -1.38898e+06    4.20524e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11319e+02   -2.12715e+02    2.40543e+02    3.61887e-06

           Step           Time
      241920000   483840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48827e+03    1.83136e+04    1.23809e+04    1.12779e+03   -2.94979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54355e+03    1.04315e+05    2.80088e+05   -1.71779e+04   -2.15459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.16967e+04   -1.73477e+06    3.42813e+05   -1.39195e+06    4.21676e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07661e+02   -2.11710e+02   -4.09901e+00    3.57521e-06

           Step           Time
      241925000   483850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33159e+03    1.85730e+04    1.24130e+04    1.07086e+03   -2.89538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52292e+03    1.04221e+05    2.78936e+05   -1.72114e+04   -2.15309e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19113e+04   -1.73421e+06    3.46249e+05   -1.38797e+06    4.21379e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10745e+02   -2.12536e+02   -9.21083e+00    3.65070e-06

           Step           Time
      241930000   483860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28759e+03    1.83278e+04    1.22698e+04    1.02812e+03   -2.83466e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51740e+03    1.04652e+05    2.79471e+05   -1.72036e+04   -2.15693e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19971e+04   -1.73741e+06    3.46795e+05   -1.39062e+06    4.21541e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11235e+02   -2.12344e+02   -4.38805e+00    3.71870e-06

           Step           Time
      241935000   483870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76755e+03    1.83620e+04    1.22781e+04    1.04182e+03   -2.90186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37052e+03    1.04714e+05    2.80869e+05   -1.71429e+04   -2.15467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19864e+04   -1.73333e+06    3.45705e+05   -1.38762e+06    4.22354e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10256e+02   -2.10851e+02   -3.76235e+01    3.68984e-06

           Step           Time
      241940000   483880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58606e+03    1.78958e+04    1.23610e+04    1.06862e+03   -2.74736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48308e+03    1.04538e+05    2.81431e+05   -1.71962e+04   -2.15602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19910e+04   -1.73461e+06    3.46142e+05   -1.38847e+06    4.22150e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10649e+02   -2.12162e+02    5.90991e+01    3.72652e-06

           Step           Time
      241945000   483890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55401e+03    1.81145e+04    1.23478e+04    1.11423e+03   -2.85960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53051e+03    1.04831e+05    2.78423e+05   -1.71586e+04   -2.15365e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20558e+04   -1.73469e+06    3.45955e+05   -1.38874e+06    4.22936e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10481e+02   -2.11236e+02   -1.16693e+02    3.60420e-06

           Step           Time
      241950000   483900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58458e+03    1.83621e+04    1.22249e+04    1.18984e+03   -2.89901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41428e+03    1.04272e+05    2.80878e+05   -1.71291e+04   -2.15519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20175e+04   -1.73427e+06    3.47274e+05   -1.38700e+06    4.23010e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11665e+02   -2.10511e+02   -8.36813e+01    3.58224e-06

           Step           Time
      241955000   483910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53687e+03    1.77751e+04    1.22637e+04    1.03974e+03   -2.75563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56540e+03    1.04469e+05    2.80653e+05   -1.71984e+04   -2.15617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19975e+04   -1.73583e+06    3.46078e+05   -1.38975e+06    4.23126e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10592e+02   -2.12217e+02   -1.79267e+01    3.52393e-06

           Step           Time
      241960000   483920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30016e+03    1.79739e+04    1.24609e+04    1.08037e+03   -2.84763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51947e+03    1.04767e+05    2.82517e+05   -1.71641e+04   -2.15954e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21064e+04   -1.73682e+06    3.46426e+05   -1.39040e+06    4.22920e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10903e+02   -2.11370e+02    2.13877e+01    3.75628e-06

           Step           Time
      241965000   483930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55891e+03    1.81841e+04    1.23237e+04    1.05524e+03   -2.81209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49524e+03    1.04254e+05    2.80896e+05   -1.71941e+04   -2.15547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20062e+04   -1.73470e+06    3.47464e+05   -1.38724e+06    4.23509e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11835e+02   -2.12109e+02    3.20790e+01    3.57423e-06

           Step           Time
      241970000   483940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38244e+03    1.81594e+04    1.23500e+04    1.08927e+03   -2.74096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52201e+03    1.04309e+05    2.81018e+05   -1.72389e+04   -2.15668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20520e+04   -1.73578e+06    3.46166e+05   -1.38962e+06    4.23888e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10671e+02   -2.13214e+02    6.75762e+01    3.63878e-06

           Step           Time
      241975000   483950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47748e+03    1.84150e+04    1.24367e+04    1.02355e+03   -2.87910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45060e+03    1.04082e+05    2.82060e+05   -1.72323e+04   -2.15764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20378e+04   -1.73577e+06    3.47446e+05   -1.38833e+06    4.24094e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11819e+02   -2.13052e+02    1.77058e+01    3.75124e-06

           Step           Time
      241980000   483960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71763e+03    1.84908e+04    1.23438e+04    1.08684e+03   -2.84355e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50983e+03    1.04087e+05    2.79803e+05   -1.71852e+04   -2.15193e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19930e+04   -1.73193e+06    3.45915e+05   -1.38602e+06    4.24439e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10445e+02   -2.11890e+02   -1.49111e+00    3.64155e-06

           Step           Time
      241985000   483970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49054e+03    1.83908e+04    1.22895e+04    1.03885e+03   -2.80828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39737e+03    1.03998e+05    2.80730e+05   -1.71965e+04   -2.15716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21010e+04   -1.73673e+06    3.45433e+05   -1.39129e+06    4.25069e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10013e+02   -2.12169e+02   -6.05278e+01    3.62153e-06

           Step           Time
      241990000   483980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50012e+03    1.84291e+04    1.24125e+04    1.10571e+03   -2.89636e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52207e+03    1.04302e+05    2.80263e+05   -1.71501e+04   -2.15602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20919e+04   -1.73544e+06    3.46719e+05   -1.38872e+06    4.25290e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11167e+02   -2.11027e+02   -7.02638e+01    3.73266e-06

           Step           Time
      241995000   483990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69178e+03    1.83497e+04    1.22875e+04    1.09365e+03   -2.77853e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38167e+03    1.04084e+05    2.82920e+05   -1.71651e+04   -2.15811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21387e+04   -1.73511e+06    3.46771e+05   -1.38834e+06    4.25504e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11214e+02   -2.11396e+02    3.78159e+01    3.62420e-06

           Step           Time
      242000000   484000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67713e+03    1.80257e+04    1.21380e+04    1.03800e+03   -2.89608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58036e+03    1.04151e+05    2.79982e+05   -1.72039e+04   -2.15561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19632e+04   -1.73615e+06    3.46394e+05   -1.38976e+06    4.25314e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10875e+02   -2.12351e+02   -2.25497e+01    3.91442e-06

           Step           Time
      242005000   484010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29132e+03    1.83276e+04    1.22763e+04    1.05969e+03   -2.83216e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43624e+03    1.03742e+05    2.80934e+05   -1.71596e+04   -2.15675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19338e+04   -1.73674e+06    3.46192e+05   -1.39055e+06    4.25229e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10693e+02   -2.11260e+02   -5.67444e+01    3.75454e-06

           Step           Time
      242010000   484020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75344e+03    1.82233e+04    1.22051e+04    1.00410e+03   -2.83048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53434e+03    1.04118e+05    2.79339e+05   -1.71841e+04   -2.15208e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19537e+04   -1.73297e+06    3.47300e+05   -1.38567e+06    4.26002e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11689e+02   -2.11865e+02   -5.10605e+01    3.76126e-06

           Step           Time
      242015000   484030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55670e+03    1.84860e+04    1.20553e+04    1.09508e+03   -2.80312e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.30233e+03    1.04376e+05    2.80562e+05   -1.72085e+04   -2.15456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21381e+04   -1.73400e+06    3.45046e+05   -1.38895e+06    4.26748e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09665e+02   -2.12466e+02    9.38690e+00    3.55094e-06

           Step           Time
      242020000   484040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48727e+03    1.84037e+04    1.23372e+04    1.13240e+03   -2.79434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63654e+03    1.04208e+05    2.81182e+05   -1.72038e+04   -2.15435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19551e+04   -1.73301e+06    3.46352e+05   -1.38666e+06    4.26564e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10837e+02   -2.12349e+02    7.44918e+01    3.88407e-06

           Step           Time
      242025000   484050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52580e+03    1.79435e+04    1.23872e+04    9.59764e+02   -2.85003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42076e+03    1.04064e+05    2.81218e+05   -1.71726e+04   -2.15371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19409e+04   -1.73327e+06    3.46411e+05   -1.38686e+06    4.26350e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10890e+02   -2.11580e+02   -3.05615e+01    3.70321e-06

           Step           Time
      242030000   484060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55009e+03    1.83007e+04    1.22759e+04    1.09907e+03   -2.82571e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41580e+03    1.04223e+05    2.80960e+05   -1.71896e+04   -2.15557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19536e+04   -1.73481e+06    3.46040e+05   -1.38877e+06    4.27298e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10557e+02   -2.12000e+02    7.76097e+00    3.69680e-06

           Step           Time
      242035000   484070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52116e+03    1.84497e+04    1.24271e+04    1.11776e+03   -2.97968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35868e+03    1.04108e+05    2.78977e+05   -1.71608e+04   -2.15407e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19853e+04   -1.73526e+06    3.47206e+05   -1.38806e+06    4.27425e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11603e+02   -2.11290e+02   -5.96739e+01    3.70872e-06

           Step           Time
      242040000   484080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70060e+03    1.81502e+04    1.23787e+04    1.03656e+03   -2.77940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42989e+03    1.04026e+05    2.81073e+05   -1.71693e+04   -2.15435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20692e+04   -1.73343e+06    3.46636e+05   -1.38679e+06    4.28140e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11092e+02   -2.11500e+02   -4.69129e+01    3.75585e-06

           Step           Time
      242045000   484090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55202e+03    1.84483e+04    1.24345e+04    1.09249e+03   -2.83441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48009e+03    1.04038e+05    2.81588e+05   -1.72151e+04   -2.15674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20453e+04   -1.73511e+06    3.46324e+05   -1.38878e+06    4.28152e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10812e+02   -2.12628e+02    3.13199e+01    3.77534e-06

           Step           Time
      242050000   484100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70835e+03    1.83491e+04    1.23730e+04    1.01048e+03   -2.77664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51914e+03    1.03902e+05    2.83019e+05   -1.71734e+04   -2.15784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20356e+04   -1.73487e+06    3.45393e+05   -1.38948e+06    4.28819e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09976e+02   -2.11601e+02    7.75370e+01    3.61283e-06

           Step           Time
      242055000   484110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58185e+03    1.81233e+04    1.23397e+04    1.08244e+03   -2.96284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58313e+03    1.03891e+05    2.81293e+05   -1.72019e+04   -2.15539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19609e+04   -1.73470e+06    3.45855e+05   -1.38884e+06    4.28855e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10391e+02   -2.12302e+02    7.02439e+00    3.68984e-06

           Step           Time
      242060000   484120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50666e+03    1.82154e+04    1.24432e+04    9.98208e+02   -2.81359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45791e+03    1.04284e+05    2.82441e+05   -1.71838e+04   -2.15827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20133e+04   -1.73591e+06    3.47384e+05   -1.38852e+06    4.29014e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11763e+02   -2.11855e+02    4.43828e+01    3.71503e-06

           Step           Time
      242065000   484130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50332e+03    1.81561e+04    1.24806e+04    1.12323e+03   -2.83885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48450e+03    1.03887e+05    2.82348e+05   -1.72040e+04   -2.15775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19501e+04   -1.73586e+06    3.48309e+05   -1.38755e+06    4.29172e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12594e+02   -2.12355e+02    5.99174e+01    3.77678e-06

           Step           Time
      242070000   484140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45074e+03    1.83679e+04    1.22176e+04    1.10405e+03   -2.84333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38349e+03    1.04437e+05    2.80868e+05   -1.71635e+04   -2.15390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20388e+04   -1.73304e+06    3.45390e+05   -1.38765e+06    4.29404e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09974e+02   -2.11356e+02    8.64170e+00    3.65421e-06

           Step           Time
      242075000   484150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71447e+03    1.88425e+04    1.23595e+04    1.04754e+03   -2.83897e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33367e+03    1.04187e+05    2.78223e+05   -1.71817e+04   -2.15182e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19591e+04   -1.73317e+06    3.48366e+05   -1.38481e+06    4.29736e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12645e+02   -2.11804e+02   -1.69768e+02    3.57490e-06

           Step           Time
      242080000   484160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56766e+03    1.79417e+04    1.23627e+04    1.00193e+03   -2.92090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45700e+03    1.04888e+05    2.81267e+05   -1.71635e+04   -2.15726e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19589e+04   -1.73590e+06    3.45022e+05   -1.39087e+06    4.30270e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09644e+02   -2.11357e+02   -5.86281e+01    3.56533e-06

           Step           Time
      242085000   484170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55219e+03    1.83322e+04    1.22544e+04    1.01090e+03   -2.79596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51071e+03    1.04471e+05    2.80888e+05   -1.71389e+04   -2.15849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18436e+04   -1.73756e+06    3.48162e+05   -1.38940e+06    4.30364e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12462e+02   -2.10751e+02   -2.83460e+01    3.61574e-06

           Step           Time
      242090000   484180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65461e+03    1.81699e+04    1.24924e+04    1.07959e+03   -2.80096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35236e+03    1.04463e+05    2.80347e+05   -1.71655e+04   -2.15626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21037e+04   -1.73556e+06    3.45516e+05   -1.39005e+06    4.31211e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10087e+02   -2.11405e+02   -7.66696e+01    3.60611e-06

           Step           Time
      242095000   484190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54300e+03    1.82939e+04    1.21485e+04    1.05909e+03   -2.82857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43950e+03    1.04086e+05    2.78472e+05   -1.71597e+04   -2.15118e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17705e+04   -1.73336e+06    3.45124e+05   -1.38823e+06    4.30982e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09736e+02   -2.11263e+02   -1.31978e+02    3.62320e-06

           Step           Time
      242100000   484200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55185e+03    1.82059e+04    1.22473e+04    1.09764e+03   -2.84280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42363e+03    1.03766e+05    2.80358e+05   -1.72470e+04   -2.15571e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20182e+04   -1.73613e+06    3.45023e+05   -1.39111e+06    4.31376e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09644e+02   -2.13417e+02   -1.81644e+01    3.84551e-06

           Step           Time
      242105000   484210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38391e+03    1.84946e+04    1.23944e+04    1.05657e+03   -2.84397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53193e+03    1.03699e+05    2.80221e+05   -1.71376e+04   -2.15185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19837e+04   -1.73206e+06    3.46014e+05   -1.38605e+06    4.31874e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10535e+02   -2.10720e+02   -1.57014e+00    3.73922e-06

           Step           Time
      242110000   484220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55393e+03    1.82590e+04    1.23853e+04    1.09584e+03   -2.80184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39481e+03    1.04570e+05    2.82519e+05   -1.71777e+04   -2.15551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20522e+04   -1.73266e+06    3.48314e+05   -1.38435e+06    4.31962e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12598e+02   -2.11705e+02    6.06057e+01    3.72224e-06

           Step           Time
      242115000   484230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59871e+03    1.87556e+04    1.22669e+04    1.08278e+03   -2.82126e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.30436e+03    1.04091e+05    2.81170e+05   -1.71907e+04   -2.15498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20110e+04   -1.73371e+06    3.47263e+05   -1.38644e+06    4.32404e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11655e+02   -2.12026e+02   -1.34054e+01    3.68325e-06

           Step           Time
      242120000   484240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72138e+03    1.84297e+04    1.23886e+04    1.09408e+03   -2.75293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35338e+03    1.04214e+05    2.78112e+05   -1.71792e+04   -2.15028e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20809e+04   -1.73181e+06    3.48222e+05   -1.38359e+06    4.32802e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12516e+02   -2.11743e+02   -1.05240e+02    3.59787e-06

           Step           Time
      242125000   484250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63364e+03    1.84340e+04    1.23470e+04    1.12093e+03   -2.85491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48991e+03    1.03970e+05    2.80844e+05   -1.71940e+04   -2.15456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19865e+04   -1.73378e+06    3.48547e+05   -1.38524e+06    4.32775e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12807e+02   -2.12108e+02    1.96601e+01    3.71057e-06

           Step           Time
      242130000   484260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70844e+03    1.82064e+04    1.22141e+04    1.08353e+03   -2.88701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37740e+03    1.04150e+05    2.80738e+05   -1.71656e+04   -2.15557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20339e+04   -1.73511e+06    3.47996e+05   -1.38711e+06    4.33404e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12313e+02   -2.11409e+02   -4.61228e+01    3.59807e-06

           Step           Time
      242135000   484270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40750e+03    1.81497e+04    1.25518e+04    1.07123e+03   -2.93813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48434e+03    1.03855e+05    2.80205e+05   -1.71861e+04   -2.15727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20198e+04   -1.73765e+06    3.46964e+05   -1.39068e+06    4.33539e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11386e+02   -2.11914e+02   -9.05899e+00    3.73426e-06

           Step           Time
      242140000   484280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47148e+03    1.83332e+04    1.24264e+04    1.12147e+03   -2.83758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46730e+03    1.04185e+05    2.79437e+05   -1.71755e+04   -2.15416e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21084e+04   -1.73462e+06    3.44952e+05   -1.38967e+06    4.34482e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09581e+02   -2.11651e+02   -2.41233e+01    3.56907e-06

           Step           Time
      242145000   484290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35147e+03    1.81804e+04    1.23253e+04    1.12283e+03   -2.94054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32145e+03    1.04419e+05    2.80953e+05   -1.71596e+04   -2.15697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21530e+04   -1.73624e+06    3.45846e+05   -1.39040e+06    4.34641e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10384e+02   -2.11261e+02   -2.63513e+01    3.64918e-06

           Step           Time
      242150000   484300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51170e+03    1.79348e+04    1.24182e+04    1.12513e+03   -2.89117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61151e+03    1.04573e+05    2.81082e+05   -1.71305e+04   -2.15756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19560e+04   -1.73637e+06    3.46908e+05   -1.38947e+06    4.34380e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11336e+02   -2.10546e+02    7.10274e+00    3.71669e-06

           Step           Time
      242155000   484310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43265e+03    1.81966e+04    1.23958e+04    1.12796e+03   -2.84351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40623e+03    1.04619e+05    2.81295e+05   -1.72007e+04   -2.15655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20954e+04   -1.73502e+06    3.47434e+05   -1.38759e+06    4.34824e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11809e+02   -2.12272e+02    7.36202e+00    3.62257e-06

           Step           Time
      242160000   484320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35106e+03    1.80709e+04    1.22468e+04    1.05910e+03   -2.85988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54719e+03    1.04892e+05    2.81882e+05   -1.72543e+04   -2.15981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17904e+04   -1.73809e+06    3.46061e+05   -1.39203e+06    4.35431e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10576e+02   -2.13597e+02    9.48722e+01    3.57645e-06

           Step           Time
      242165000   484330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57488e+03    1.81129e+04    1.22873e+04    1.10652e+03   -2.79133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53602e+03    1.04333e+05    2.79692e+05   -1.71730e+04   -2.15248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19798e+04   -1.73282e+06    3.46548e+05   -1.38627e+06    4.35579e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11014e+02   -2.11591e+02    1.96027e+01    3.82414e-06

           Step           Time
      242170000   484340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44157e+03    1.86041e+04    1.22338e+04    1.04779e+03   -2.83886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43944e+03    1.05003e+05    2.79545e+05   -1.71167e+04   -2.15478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21177e+04   -1.73430e+06    3.47820e+05   -1.38648e+06    4.35941e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12155e+02   -2.10207e+02   -1.19621e+02    3.75538e-06

           Step           Time
      242175000   484350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41252e+03    1.81730e+04    1.23608e+04    1.08345e+03   -2.82836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52650e+03    1.04669e+05    2.81369e+05   -1.72027e+04   -2.15730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20200e+04   -1.73571e+06    3.46997e+05   -1.38872e+06    4.36054e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11416e+02   -2.12323e+02    1.05661e+02    3.69141e-06

           Step           Time
      242180000   484360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60272e+03    1.81254e+04    1.24698e+04    1.07032e+03   -2.74905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45771e+03    1.04831e+05    2.80814e+05   -1.71484e+04   -2.15420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19254e+04   -1.73280e+06    3.46901e+05   -1.38590e+06    4.36359e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11331e+02   -2.10985e+02   -2.41535e+01    3.65709e-06

           Step           Time
      242185000   484370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34445e+03    1.84020e+04    1.23805e+04    1.10757e+03   -2.73621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53894e+03    1.03952e+05    2.79388e+05   -1.72032e+04   -2.15500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20341e+04   -1.73579e+06    3.45578e+05   -1.39021e+06    4.37165e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10143e+02   -2.12335e+02    4.34822e+01    3.66555e-06

           Step           Time
      242190000   484380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45523e+03    1.85056e+04    1.21880e+04    1.09273e+03   -2.81051e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48248e+03    1.03901e+05    2.79264e+05   -1.71614e+04   -2.15380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20881e+04   -1.73480e+06    3.46641e+05   -1.38815e+06    4.37009e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11097e+02   -2.11306e+02   -9.95181e+01    3.71951e-06

           Step           Time
      242195000   484390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28058e+03    1.80499e+04    1.23079e+04    1.04251e+03   -2.88089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43364e+03    1.05010e+05    2.81287e+05   -1.72011e+04   -2.15653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21032e+04   -1.73510e+06    3.46676e+05   -1.38842e+06    4.37138e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11128e+02   -2.12281e+02    2.30668e+01    3.80260e-06

           Step           Time
      242200000   484400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30375e+03    1.79889e+04    1.23115e+04    1.11152e+03   -2.85054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59635e+03    1.05047e+05    2.80974e+05   -1.71971e+04   -2.15790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20726e+04   -1.73655e+06    3.48225e+05   -1.38832e+06    4.37761e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12518e+02   -2.12183e+02    5.40287e+01    3.76876e-06

           Step           Time
      242205000   484410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42837e+03    1.79635e+04    1.21962e+04    1.03930e+03   -2.72684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48408e+03    1.04625e+05    2.80504e+05   -1.72150e+04   -2.15641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20111e+04   -1.73610e+06    3.46423e+05   -1.38968e+06    4.38454e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10901e+02   -2.12624e+02    2.87843e-01    3.76856e-06

           Step           Time
      242210000   484420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61254e+03    1.82428e+04    1.21798e+04    1.01553e+03   -2.66111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42345e+03    1.04414e+05    2.80510e+05   -1.71685e+04   -2.15454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19674e+04   -1.73400e+06    3.45295e+05   -1.38871e+06    4.38834e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09889e+02   -2.11479e+02   -2.70080e+01    3.56905e-06

           Step           Time
      242215000   484430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49631e+03    1.82879e+04    1.23702e+04    1.10528e+03   -2.76623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47531e+03    1.04273e+05    2.79770e+05   -1.71551e+04   -2.15344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21161e+04   -1.73347e+06    3.45642e+05   -1.38783e+06    4.38739e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10201e+02   -2.11150e+02   -3.35332e+01    3.82198e-06

           Step           Time
      242220000   484440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60661e+03    1.80734e+04    1.23085e+04    1.09679e+03   -2.86403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50049e+03    1.04269e+05    2.79023e+05   -1.71858e+04   -2.15526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19586e+04   -1.73647e+06    3.46382e+05   -1.39009e+06    4.39092e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10865e+02   -2.11904e+02   -1.32740e+02    3.75600e-06

           Step           Time
      242225000   484450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58134e+03    1.79929e+04    1.25499e+04    1.09810e+03   -2.92555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50942e+03    1.04177e+05    2.82034e+05   -1.71791e+04   -2.15458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21149e+04   -1.73263e+06    3.47326e+05   -1.38530e+06    4.39514e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11711e+02   -2.11741e+02    3.01407e+00    3.85056e-06

           Step           Time
      242230000   484460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56635e+03    1.81898e+04    1.22546e+04    1.16396e+03   -2.91699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54412e+03    1.04174e+05    2.79470e+05   -1.71452e+04   -2.15260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20225e+04   -1.73328e+06    3.48455e+05   -1.38483e+06    4.39615e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12725e+02   -2.10906e+02   -7.75449e+01    3.78661e-06

           Step           Time
      242235000   484470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59790e+03    1.78386e+04    1.21604e+04    1.15301e+03   -2.76838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44047e+03    1.04274e+05    2.80800e+05   -1.72260e+04   -2.15605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19864e+04   -1.73580e+06    3.46356e+05   -1.38944e+06    4.40085e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10841e+02   -2.12895e+02    1.26585e+01    3.78665e-06

Writing checkpoint, step 242238700 at Sat Dec  2 02:08:07 2023


           Step           Time
      242240000   484480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56981e+03    1.83999e+04    1.24909e+04    1.04327e+03   -2.86235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63259e+03    1.04210e+05    2.80436e+05   -1.71907e+04   -2.15484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21502e+04   -1.73396e+06    3.47122e+05   -1.38684e+06    4.40481e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11529e+02   -2.12026e+02    1.70975e+01    3.70736e-06

           Step           Time
      242245000   484490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57156e+03    1.80721e+04    1.22161e+04    1.21287e+03   -2.81985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44029e+03    1.04322e+05    2.80409e+05   -1.71853e+04   -2.15399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18445e+04   -1.73390e+06    3.45944e+05   -1.38796e+06    4.40486e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10471e+02   -2.11894e+02    1.61543e+01    3.88627e-06

           Step           Time
      242250000   484500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59815e+03    1.80628e+04    1.21537e+04    1.06477e+03   -2.84893e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47604e+03    1.04365e+05    2.81361e+05   -1.71969e+04   -2.15984e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18776e+04   -1.73892e+06    3.46800e+05   -1.39212e+06    4.41014e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11239e+02   -2.12179e+02   -8.07960e+01    3.70325e-06

           Step           Time
      242255000   484510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72810e+03    1.81467e+04    1.24483e+04    1.06122e+03   -2.95811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53911e+03    1.04421e+05    2.80198e+05   -1.72002e+04   -2.15412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20278e+04   -1.73371e+06    3.45659e+05   -1.38805e+06    4.41116e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10216e+02   -2.12261e+02   -4.02584e+01    3.72742e-06

           Step           Time
      242260000   484520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49479e+03    1.84791e+04    1.22943e+04    1.05572e+03   -2.93638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39993e+03    1.04081e+05    2.82035e+05   -1.71853e+04   -2.15873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19543e+04   -1.73706e+06    3.46868e+05   -1.39019e+06    4.41715e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11300e+02   -2.11894e+02   -1.87460e+01    3.81092e-06

           Step           Time
      242265000   484530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34304e+03    1.83353e+04    1.22951e+04    1.10271e+03   -2.82016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49192e+03    1.04545e+05    2.83099e+05   -1.72416e+04   -2.15811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17364e+04   -1.73522e+06    3.48749e+05   -1.38647e+06    4.41469e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12988e+02   -2.13281e+02    1.18773e+02    3.83263e-06

           Step           Time
      242270000   484540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49201e+03    1.82413e+04    1.22527e+04    1.10602e+03   -2.92516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43648e+03    1.04689e+05    2.79520e+05   -1.71365e+04   -2.15525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19974e+04   -1.73558e+06    3.46560e+05   -1.38902e+06    4.41956e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11024e+02   -2.10693e+02   -1.22116e+02    3.66129e-06

           Step           Time
      242275000   484550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53975e+03    1.80121e+04    1.24281e+04    1.12400e+03   -2.96335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58961e+03    1.04887e+05    2.82169e+05   -1.71863e+04   -2.15737e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19042e+04   -1.73487e+06    3.46480e+05   -1.38839e+06    4.42478e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10952e+02   -2.11917e+02    1.01637e+02    3.73825e-06

           Step           Time
      242280000   484560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50170e+03    1.84058e+04    1.23079e+04    1.05690e+03   -2.84503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50021e+03    1.04273e+05    2.79292e+05   -1.71481e+04   -2.15425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19575e+04   -1.73494e+06    3.46842e+05   -1.38810e+06    4.42434e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11277e+02   -2.10978e+02   -1.09338e+02    3.83740e-06

           Step           Time
      242285000   484570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51343e+03    1.81068e+04    1.23385e+04    1.15699e+03   -2.95327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51155e+03    1.04404e+05    2.78628e+05   -1.72286e+04   -2.15528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19691e+04   -1.73683e+06    3.45433e+05   -1.39140e+06    4.42879e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10013e+02   -2.12961e+02   -1.00436e+02    3.93055e-06

           Step           Time
      242290000   484580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.11297e+03    1.85161e+04    1.22905e+04    1.17134e+03   -2.84738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54404e+03    1.04369e+05    2.80978e+05   -1.72146e+04   -2.15681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18516e+04   -1.73603e+06    3.46344e+05   -1.38969e+06    4.43084e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10830e+02   -2.12616e+02    4.36392e+01    3.66675e-06

           Step           Time
      242295000   484590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56771e+03    1.80065e+04    1.25479e+04    9.61931e+02   -2.93366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50717e+03    1.04566e+05    2.80997e+05   -1.71805e+04   -2.15564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19715e+04   -1.73463e+06    3.46977e+05   -1.38765e+06    4.43381e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11399e+02   -2.11774e+02    3.41622e+01    3.71646e-06

           Step           Time
      242300000   484600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68919e+03    1.81674e+04    1.24700e+04    1.06003e+03   -2.90182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60082e+03    1.04413e+05    2.80475e+05   -1.71770e+04   -2.15634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19161e+04   -1.73562e+06    3.46094e+05   -1.38953e+06    4.44022e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10606e+02   -2.11689e+02    2.75812e+01    3.70110e-06

           Step           Time
      242305000   484610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.12485e+03    1.81663e+04    1.24329e+04    1.06638e+03   -2.87740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62993e+03    1.04955e+05    2.80700e+05   -1.72217e+04   -2.15687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19193e+04   -1.73597e+06    3.45638e+05   -1.39033e+06    4.43596e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10196e+02   -2.12791e+02    6.21481e+01    3.73487e-06

           Step           Time
      242310000   484620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42903e+03    1.83568e+04    1.23480e+04    1.08550e+03   -2.86429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50537e+03    1.04465e+05    2.81693e+05   -1.72216e+04   -2.15798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18718e+04   -1.73631e+06    3.46371e+05   -1.38994e+06    4.44624e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10854e+02   -2.12788e+02    3.20952e+01    3.75388e-06

           Step           Time
      242315000   484630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56287e+03    1.82352e+04    1.23910e+04    1.08723e+03   -2.84872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53989e+03    1.04504e+05    2.79425e+05   -1.71699e+04   -2.15382e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20123e+04   -1.73408e+06    3.49488e+05   -1.38459e+06    4.44350e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13652e+02   -2.11515e+02   -3.96876e+01    3.71514e-06

           Step           Time
      242320000   484640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71164e+03    1.84603e+04    1.25064e+04    1.08507e+03   -2.96540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36262e+03    1.03902e+05    2.79172e+05   -1.71325e+04   -2.15281e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21613e+04   -1.73354e+06    3.44713e+05   -1.38883e+06    4.45186e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09366e+02   -2.10594e+02   -1.67990e+02    3.71171e-06

           Step           Time
      242325000   484650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51249e+03    1.85650e+04    1.25963e+04    1.15275e+03   -2.95180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57346e+03    1.04050e+05    2.81838e+05   -1.72264e+04   -2.15743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19488e+04   -1.73537e+06    3.44701e+05   -1.39067e+06    4.45606e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09356e+02   -2.12908e+02    1.35537e+02    3.75856e-06

           Step           Time
      242330000   484660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57761e+03    1.83200e+04    1.22971e+04    1.09237e+03   -2.78419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46419e+03    1.04338e+05    2.79453e+05   -1.72020e+04   -2.15428e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20462e+04   -1.73467e+06    3.48255e+05   -1.38642e+06    4.45254e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12545e+02   -2.12305e+02   -1.41498e+01    3.87022e-06

           Step           Time
      242335000   484670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49197e+03    1.81243e+04    1.23035e+04    1.04646e+03   -2.78444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49957e+03    1.04315e+05    2.80419e+05   -1.71449e+04   -2.15469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18117e+04   -1.73460e+06    3.45208e+05   -1.38940e+06    4.45730e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09810e+02   -2.10899e+02   -3.08555e+01    3.91747e-06

           Step           Time
      242340000   484680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70560e+03    1.80504e+04    1.25661e+04    1.10547e+03   -2.92535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46308e+03    1.04099e+05    2.79858e+05   -1.71388e+04   -2.15422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19901e+04   -1.73445e+06    3.48023e+05   -1.38643e+06    4.45739e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12337e+02   -2.10749e+02   -6.36685e+01    3.69195e-06

           Step           Time
      242345000   484690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67735e+03    1.82679e+04    1.22894e+04    1.10082e+03   -2.88375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45684e+03    1.04380e+05    2.82662e+05   -1.71992e+04   -2.15859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20338e+04   -1.73580e+06    3.45239e+05   -1.39056e+06    4.46830e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09838e+02   -2.12236e+02    2.65091e+01    3.72298e-06

           Step           Time
      242350000   484700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64916e+03    1.83222e+04    1.23844e+04    1.14127e+03   -2.76340e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55472e+03    1.04458e+05    2.78588e+05   -1.71772e+04   -2.15020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19404e+04   -1.73111e+06    3.47827e+05   -1.38328e+06    4.46810e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12161e+02   -2.11694e+02    1.44741e+01    3.82759e-06

           Step           Time
      242355000   484710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74199e+03    1.80686e+04    1.21844e+04    1.03236e+03   -2.78547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38562e+03    1.04633e+05    2.82175e+05   -1.72041e+04   -2.15768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19321e+04   -1.73552e+06    3.47048e+05   -1.38847e+06    4.47160e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11462e+02   -2.12356e+02    1.82241e+00    3.90914e-06

           Step           Time
      242360000   484720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47722e+03    1.86175e+04    1.21841e+04    1.11123e+03   -2.87899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45400e+03    1.04509e+05    2.80797e+05   -1.71792e+04   -2.15688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21237e+04   -1.73566e+06    3.46475e+05   -1.38919e+06    4.48110e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10948e+02   -2.11742e+02   -4.31559e+00    3.68202e-06

           Step           Time
      242365000   484730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52918e+03    1.82646e+04    1.22675e+04    1.12236e+03   -2.76859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55522e+03    1.04081e+05    2.81018e+05   -1.71922e+04   -2.15546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19678e+04   -1.73462e+06    3.46582e+05   -1.38803e+06    4.48099e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11044e+02   -2.12064e+02    5.58570e+00    3.70961e-06

           Step           Time
      242370000   484740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35999e+03    1.83432e+04    1.22129e+04    1.01212e+03   -2.86312e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47302e+03    1.04387e+05    2.80685e+05   -1.71983e+04   -2.15492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19944e+04   -1.73452e+06    3.45331e+05   -1.38919e+06    4.48208e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09921e+02   -2.12214e+02   -4.39217e+01    3.62743e-06

           Step           Time
      242375000   484750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51572e+03    1.81427e+04    1.24340e+04    1.10730e+03   -2.83268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49678e+03    1.04842e+05    2.79762e+05   -1.72211e+04   -2.15829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20088e+04   -1.73803e+06    3.46048e+05   -1.39198e+06    4.48762e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10564e+02   -2.12776e+02   -6.11481e+01    3.72371e-06

           Step           Time
      242380000   484760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49888e+03    1.84026e+04    1.21629e+04    1.10395e+03   -2.76197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57335e+03    1.04207e+05    2.79534e+05   -1.72073e+04   -2.15482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19574e+04   -1.73535e+06    3.46258e+05   -1.38909e+06    4.49024e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10753e+02   -2.12435e+02   -6.80663e+00    3.77301e-06

           Step           Time
      242385000   484770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34675e+03    1.81453e+04    1.21533e+04    1.02434e+03   -2.83155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54674e+03    1.04569e+05    2.78693e+05   -1.71753e+04   -2.15301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17728e+04   -1.73477e+06    3.45903e+05   -1.38887e+06    4.48685e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10435e+02   -2.11648e+02   -5.07961e+01    3.74420e-06

           Step           Time
      242390000   484780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45124e+03    1.85346e+04    1.24024e+04    1.10742e+03   -2.83854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52975e+03    1.04493e+05    2.81514e+05   -1.72022e+04   -2.15528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21611e+04   -1.73312e+06    3.44746e+05   -1.38838e+06    4.49860e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09396e+02   -2.12310e+02    4.45539e+01    3.73704e-06

           Step           Time
      242395000   484790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53173e+03    1.85155e+04    1.24431e+04    1.05082e+03   -2.84524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47872e+03    1.04462e+05    2.80222e+05   -1.72196e+04   -2.15438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18812e+04   -1.73386e+06    3.46415e+05   -1.38744e+06    4.49939e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10894e+02   -2.12738e+02    5.02545e+01    3.77718e-06

           Step           Time
      242400000   484800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70234e+03    1.83584e+04    1.26137e+04    1.17382e+03   -2.92997e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41610e+03    1.04560e+05    2.81551e+05   -1.71522e+04   -2.15416e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20495e+04   -1.73181e+06    3.48035e+05   -1.38378e+06    4.50206e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12348e+02   -2.11078e+02    1.38358e+01    3.72463e-06

           Step           Time
      242405000   484810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40776e+03    1.78157e+04    1.22953e+04    1.11389e+03   -2.89408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53157e+03    1.04155e+05    2.82385e+05   -1.72074e+04   -2.15948e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18964e+04   -1.73798e+06    3.45830e+05   -1.39215e+06    4.49925e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10369e+02   -2.12438e+02    2.42888e+01    3.57399e-06

           Step           Time
      242410000   484820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54867e+03    1.83005e+04    1.23745e+04    1.03238e+03   -2.83860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47697e+03    1.04289e+05    2.83027e+05   -1.71588e+04   -2.15898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20744e+04   -1.73585e+06    3.46335e+05   -1.38952e+06    4.51024e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10822e+02   -2.11241e+02    5.29633e+01    3.78952e-06

           Step           Time
      242415000   484830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36227e+03    1.81013e+04    1.23669e+04    1.00734e+03   -2.84405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63480e+03    1.04510e+05    2.81792e+05   -1.72154e+04   -2.15816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20167e+04   -1.73643e+06    3.47382e+05   -1.38905e+06    4.51092e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11762e+02   -2.12636e+02    1.26979e+02    3.81780e-06

           Step           Time
      242420000   484840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47080e+03    1.81473e+04    1.23219e+04    1.09645e+03   -2.80024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42010e+03    1.04358e+05    2.78498e+05   -1.71635e+04   -2.15420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20399e+04   -1.73581e+06    3.45136e+05   -1.39067e+06    4.51695e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09747e+02   -2.11357e+02   -1.82257e+02    3.67436e-06

           Step           Time
      242425000   484850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42299e+03    1.80511e+04    1.23747e+04    1.07606e+03   -2.80168e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57520e+03    1.04524e+05    2.83946e+05   -1.72003e+04   -2.15999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20438e+04   -1.73598e+06    3.46526e+05   -1.38945e+06    4.51842e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10993e+02   -2.12262e+02    1.64584e+02    3.64612e-06

           Step           Time
      242430000   484860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31993e+03    1.83560e+04    1.24354e+04    1.10156e+03   -2.90835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52743e+03    1.04513e+05    2.79638e+05   -1.71708e+04   -2.15438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19491e+04   -1.73462e+06    3.45515e+05   -1.38911e+06    4.51735e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10087e+02   -2.11536e+02    4.74994e+01    3.65659e-06

           Step           Time
      242435000   484870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61074e+03    1.82850e+04    1.22734e+04    1.11572e+03   -2.95075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55097e+03    1.04345e+05    2.79637e+05   -1.71952e+04   -2.15644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20451e+04   -1.73672e+06    3.46110e+05   -1.39061e+06    4.52326e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10621e+02   -2.12137e+02   -4.80387e+01    3.67278e-06

           Step           Time
      242440000   484880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41107e+03    1.79019e+04    1.23119e+04    1.07096e+03   -2.90520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50598e+03    1.05166e+05    2.79645e+05   -1.71569e+04   -2.15552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20976e+04   -1.73547e+06    3.47443e+05   -1.38803e+06    4.52161e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11816e+02   -2.11195e+02   -5.72661e+01    3.64610e-06

           Step           Time
      242445000   484890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20701e+03    1.85144e+04    1.25277e+04    1.07024e+03   -2.85896e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46807e+03    1.04267e+05    2.81821e+05   -1.71930e+04   -2.15597e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19925e+04   -1.73415e+06    3.44952e+05   -1.38920e+06    4.52930e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09581e+02   -2.12082e+02    8.03978e+01    3.63650e-06

           Step           Time
      242450000   484900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25978e+03    1.85410e+04    1.22133e+04    1.07570e+03   -2.81402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65778e+03    1.04703e+05    2.77881e+05   -1.71333e+04   -2.15046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18780e+04   -1.73220e+06    3.47399e+05   -1.38480e+06    4.53122e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11778e+02   -2.10614e+02   -1.14094e+02    3.82657e-06

           Step           Time
      242455000   484910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45361e+03    1.80097e+04    1.24759e+04    1.10941e+03   -2.84774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47544e+03    1.04425e+05    2.81422e+05   -1.71723e+04   -2.15714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21156e+04   -1.73568e+06    3.46218e+05   -1.38946e+06    4.53385e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10717e+02   -2.11574e+02    3.72326e+01    3.71125e-06

           Step           Time
      242460000   484920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56546e+03    1.80461e+04    1.22215e+04    1.17416e+03   -2.82167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56057e+03    1.04261e+05    2.78174e+05   -1.72194e+04   -2.15280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19147e+04   -1.73492e+06    3.46380e+05   -1.38854e+06    4.53568e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10862e+02   -2.12733e+02   -9.26321e+01    3.63528e-06

           Step           Time
      242465000   484930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50537e+03    1.86945e+04    1.24986e+04    1.10291e+03   -2.95584e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42390e+03    1.03765e+05    2.81522e+05   -1.71788e+04   -2.15418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21040e+04   -1.73270e+06    3.47860e+05   -1.38484e+06    4.53582e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12191e+02   -2.11733e+02    1.02622e+01    3.83609e-06

           Step           Time
      242470000   484940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34460e+03    1.80445e+04    1.23540e+04    1.15987e+03   -2.92029e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53822e+03    1.04533e+05    2.77881e+05   -1.71570e+04   -2.15122e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19667e+04   -1.73348e+06    3.47143e+05   -1.38634e+06    4.53780e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11548e+02   -2.11196e+02   -1.65956e+02    3.74090e-06

           Step           Time
      242475000   484950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60196e+03    1.84157e+04    1.24005e+04    1.03969e+03   -2.98617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46797e+03    1.04315e+05    2.81223e+05   -1.71852e+04   -2.15700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19052e+04   -1.73580e+06    3.46097e+05   -1.38971e+06    4.54622e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10608e+02   -2.11891e+02   -2.88621e+01    3.76927e-06

           Step           Time
      242480000   484960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49517e+03    1.83470e+04    1.23535e+04    1.06596e+03   -2.84954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44747e+03    1.04374e+05    2.80830e+05   -1.71656e+04   -2.15590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21279e+04   -1.73487e+06    3.46938e+05   -1.38794e+06    4.54545e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11363e+02   -2.11408e+02   -5.10928e+01    3.86637e-06

           Step           Time
      242485000   484970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55824e+03    1.81431e+04    1.24851e+04    1.01539e+03   -2.95487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48267e+03    1.04662e+05    2.80123e+05   -1.71940e+04   -2.15545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20006e+04   -1.73513e+06    3.47813e+05   -1.38731e+06    4.54934e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12149e+02   -2.12108e+02   -1.28902e+01    3.74581e-06

           Step           Time
      242490000   484980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65765e+03    1.84828e+04    1.23294e+04    1.05098e+03   -2.86960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56263e+03    1.04363e+05    2.79583e+05   -1.72236e+04   -2.15337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21191e+04   -1.73332e+06    3.45773e+05   -1.38755e+06    4.55822e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10317e+02   -2.12837e+02    3.62464e+01    3.61384e-06

           Step           Time
      242495000   484990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41279e+03    1.82760e+04    1.22732e+04    1.09861e+03   -2.95407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52541e+03    1.04211e+05    2.79860e+05   -1.72147e+04   -2.15410e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19606e+04   -1.73465e+06    3.46882e+05   -1.38777e+06    4.55726e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11313e+02   -2.12618e+02    1.69484e+00    3.59505e-06

           Step           Time
      242500000   485000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62095e+03    1.81714e+04    1.21726e+04    1.08600e+03   -2.78171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44256e+03    1.04318e+05    2.78942e+05   -1.71575e+04   -2.15465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21007e+04   -1.73574e+06    3.46170e+05   -1.38957e+06    4.56389e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10674e+02   -2.11208e+02   -1.06111e+02    3.66483e-06

           Step           Time
      242505000   485010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36968e+03    1.81549e+04    1.22279e+04    1.15198e+03   -2.93144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54878e+03    1.04134e+05    2.79889e+05   -1.71772e+04   -2.15250e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19981e+04   -1.73313e+06    3.45753e+05   -1.38738e+06    4.56441e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10300e+02   -2.11694e+02   -1.49386e+01    3.62693e-06

           Step           Time
      242510000   485020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48918e+03    1.82758e+04    1.23244e+04    1.01976e+03   -2.93453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37830e+03    1.04064e+05    2.81333e+05   -1.72190e+04   -2.15683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18529e+04   -1.73624e+06    3.47292e+05   -1.38895e+06    4.57032e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11681e+02   -2.12723e+02   -2.78282e+01    3.86625e-06

           Step           Time
      242515000   485030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36641e+03    1.80275e+04    1.23200e+04    1.06412e+03   -2.83433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53702e+03    1.04232e+05    2.80927e+05   -1.72051e+04   -2.15664e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19368e+04   -1.73627e+06    3.47463e+05   -1.38881e+06    4.56771e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11835e+02   -2.12380e+02    2.21106e+01    3.71793e-06

           Step           Time
      242520000   485040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47708e+03    1.84644e+04    1.22906e+04    1.05020e+03   -2.88482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42698e+03    1.04215e+05    2.83952e+05   -1.71894e+04   -2.15973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18653e+04   -1.73607e+06    3.47127e+05   -1.38894e+06    4.57864e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11533e+02   -2.11994e+02    8.56318e+01    3.69302e-06

           Step           Time
      242525000   485050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43730e+03    1.86402e+04    1.25164e+04    1.07351e+03   -2.74792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42725e+03    1.04137e+05    2.81685e+05   -1.71805e+04   -2.15532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17064e+04   -1.73363e+06    3.48008e+05   -1.38562e+06    4.57841e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12324e+02   -2.11776e+02    4.90589e+01    3.92251e-06

           Step           Time
      242530000   485060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72391e+03    1.78014e+04    1.23544e+04    1.12406e+03   -2.77178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45110e+03    1.04500e+05    2.81315e+05   -1.71554e+04   -2.15630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20467e+04   -1.73491e+06    3.48359e+05   -1.38655e+06    4.57896e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12639e+02   -2.11157e+02   -1.52467e+01    3.80554e-06

           Step           Time
      242535000   485070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31109e+03    1.85914e+04    1.22838e+04    1.05013e+03   -2.90690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42159e+03    1.04529e+05    2.78996e+05   -1.71898e+04   -2.15356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20241e+04   -1.73445e+06    3.46170e+05   -1.38828e+06    4.58485e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10674e+02   -2.12004e+02   -7.44195e+01    3.69438e-06

           Step           Time
      242540000   485080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45409e+03    1.80424e+04    1.22235e+04    1.02550e+03   -2.84487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59748e+03    1.04169e+05    2.82673e+05   -1.72066e+04   -2.15983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20420e+04   -1.73766e+06    3.46260e+05   -1.39140e+06    4.58621e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10755e+02   -2.12418e+02    9.17623e+01    3.83891e-06

           Step           Time
      242545000   485090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48668e+03    1.81502e+04    1.23310e+04    1.05829e+03   -2.95030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49585e+03    1.04144e+05    2.81175e+05   -1.72434e+04   -2.15617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19605e+04   -1.73556e+06    3.48351e+05   -1.38721e+06    4.58662e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12632e+02   -2.13327e+02    4.54076e+01    3.62880e-06

           Step           Time
      242550000   485100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50021e+03    1.84720e+04    1.24627e+04    1.03730e+03   -2.89386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41775e+03    1.04296e+05    2.84594e+05   -1.72195e+04   -2.16200e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19102e+04   -1.73742e+06    3.46118e+05   -1.39130e+06    4.59374e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10628e+02   -2.12737e+02    1.33611e+02    3.64712e-06

           Step           Time
      242555000   485110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58161e+03    1.83524e+04    1.22829e+04    1.09970e+03   -2.89844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52691e+03    1.03516e+05    2.82945e+05   -1.72233e+04   -2.15731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20162e+04   -1.73511e+06    3.45847e+05   -1.38926e+06    4.59416e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10385e+02   -2.12830e+02    1.20658e+02    3.70921e-06

           Step           Time
      242560000   485120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51317e+03    1.80264e+04    1.23994e+04    1.03283e+03   -2.87678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48593e+03    1.04482e+05    2.79229e+05   -1.72289e+04   -2.15563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21295e+04   -1.73643e+06    3.45438e+05   -1.39100e+06    4.60029e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10017e+02   -2.12969e+02   -5.68849e+01    3.76540e-06

           Step           Time
      242565000   485130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55049e+03    1.81207e+04    1.22343e+04    1.05164e+03   -2.84135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41195e+03    1.03770e+05    2.82318e+05   -1.71671e+04   -2.15817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18983e+04   -1.73682e+06    3.45646e+05   -1.39118e+06    4.60205e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10204e+02   -2.11445e+02   -6.20440e+01    3.60208e-06

           Step           Time
      242570000   485140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58922e+03    1.83656e+04    1.22422e+04    1.11652e+03   -2.86361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56798e+03    1.03847e+05    2.80568e+05   -1.72127e+04   -2.15614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17796e+04   -1.73614e+06    3.47901e+05   -1.38824e+06    4.60665e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12228e+02   -2.12569e+02    2.93687e+01    3.68609e-06

           Step           Time
      242575000   485150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46031e+03    1.82074e+04    1.22781e+04    1.07377e+03   -2.77575e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39686e+03    1.04526e+05    2.80300e+05   -1.71987e+04   -2.15453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22255e+04   -1.73403e+06    3.46622e+05   -1.38741e+06    4.60949e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11080e+02   -2.12222e+02    1.22549e+01    3.74304e-06

           Step           Time
      242580000   485160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70498e+03    1.83509e+04    1.22701e+04    1.03820e+03   -2.88978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37136e+03    1.04182e+05    2.80813e+05   -1.71950e+04   -2.15452e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20066e+04   -1.73387e+06    3.47610e+05   -1.38626e+06    4.61296e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11967e+02   -2.12132e+02   -3.89944e+01    3.94708e-06

           Step           Time
      242585000   485170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35062e+03    1.82843e+04    1.23875e+04    1.00315e+03   -2.83908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52875e+03    1.03915e+05    2.80456e+05   -1.72048e+04   -2.15659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19470e+04   -1.73676e+06    3.44278e+05   -1.39248e+06    4.61595e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08976e+02   -2.12373e+02   -4.11837e+01    3.69496e-06

           Step           Time
      242590000   485180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.22992e+03    1.82739e+04    1.23001e+04    1.00124e+03   -2.94149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57502e+03    1.04246e+05    2.84185e+05   -1.71844e+04   -2.16158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18973e+04   -1.73800e+06    3.46894e+05   -1.39111e+06    4.61495e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11324e+02   -2.11871e+02    1.14661e+02    3.98153e-06

           Step           Time
      242595000   485190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51452e+03    1.80589e+04    1.22249e+04    1.07778e+03   -2.87745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45206e+03    1.04849e+05    2.80564e+05   -1.71696e+04   -2.15473e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21991e+04   -1.73383e+06    3.46592e+05   -1.38724e+06    4.61810e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11053e+02   -2.11506e+02   -4.51140e+01    3.84060e-06

           Step           Time
      242600000   485200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58608e+03    1.83527e+04    1.22273e+04    1.04203e+03   -2.83048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52037e+03    1.04357e+05    2.80106e+05   -1.72058e+04   -2.15702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19164e+04   -1.73695e+06    3.45789e+05   -1.39116e+06    4.62658e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10332e+02   -2.12399e+02   -4.23342e+01    3.71207e-06

           Step           Time
      242605000   485210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29677e+03    1.86632e+04    1.22167e+04    1.10021e+03   -2.73466e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40878e+03    1.04201e+05    2.76735e+05   -1.71597e+04   -2.14873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21023e+04   -1.73190e+06    3.46501e+05   -1.38540e+06    4.62534e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10971e+02   -2.11263e+02   -1.53133e+02    3.67405e-06

           Step           Time
      242610000   485220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47328e+03    1.82312e+04    1.24204e+04    1.04299e+03   -2.74110e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50473e+03    1.04689e+05    2.81201e+05   -1.71938e+04   -2.15581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20671e+04   -1.73412e+06    3.46908e+05   -1.38721e+06    4.63136e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11337e+02   -2.12102e+02    6.07442e+01    3.71446e-06

           Step           Time
      242615000   485230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56439e+03    1.81269e+04    1.25051e+04    1.08625e+03   -2.79103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52012e+03    1.04429e+05    2.79567e+05   -1.72222e+04   -2.15271e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19801e+04   -1.73295e+06    3.45683e+05   -1.38726e+06    4.63426e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10237e+02   -2.12802e+02    6.93453e+01    3.62430e-06

           Step           Time
      242620000   485240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88518e+03    1.82834e+04    1.24526e+04    1.09831e+03   -2.90075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58292e+03    1.04464e+05    2.80067e+05   -1.71721e+04   -2.15329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21149e+04   -1.73241e+06    3.46733e+05   -1.38568e+06    4.63868e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11179e+02   -2.11568e+02   -2.91604e+01    3.69957e-06

           Step           Time
      242625000   485250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45385e+03    1.77091e+04    1.24287e+04    1.08310e+03   -2.85774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48127e+03    1.04971e+05    2.82852e+05   -1.71912e+04   -2.15855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20448e+04   -1.73558e+06    3.45787e+05   -1.38979e+06    4.63866e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10330e+02   -2.12038e+02    6.29718e+01    3.71423e-06

           Step           Time
      242630000   485260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62080e+03    1.82271e+04    1.23848e+04    1.07919e+03   -2.88108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45121e+03    1.04453e+05    2.81348e+05   -1.71308e+04   -2.15534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19689e+04   -1.73382e+06    3.45515e+05   -1.38830e+06    4.64221e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10086e+02   -2.10553e+02   -5.77638e+01    3.88702e-06

           Step           Time
      242635000   485270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54670e+03    1.85594e+04    1.23163e+04    1.09730e+03   -2.89351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50889e+03    1.04496e+05    2.79892e+05   -1.72216e+04   -2.15321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19751e+04   -1.73293e+06    3.46333e+05   -1.38660e+06    4.64999e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10820e+02   -2.12788e+02    6.69690e+01    3.85349e-06

           Step           Time
      242640000   485280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65610e+03    1.80816e+04    1.24034e+04    1.11754e+03   -2.93358e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52445e+03    1.04505e+05    2.80679e+05   -1.72006e+04   -2.15790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19978e+04   -1.73707e+06    3.47390e+05   -1.38968e+06    4.65184e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11769e+02   -2.12271e+02   -1.51494e+01    3.87969e-06

           Step           Time
      242645000   485290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62816e+03    1.83487e+04    1.26063e+04    1.12684e+03   -2.94564e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37826e+03    1.04358e+05    2.81594e+05   -1.71986e+04   -2.15589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19541e+04   -1.73404e+06    3.46217e+05   -1.38782e+06    4.65635e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10717e+02   -2.12220e+02    1.83989e+01    3.64469e-06

           Step           Time
      242650000   485300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48554e+03    1.80202e+04    1.24369e+04    1.09103e+03   -2.76842e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39911e+03    1.04417e+05    2.80572e+05   -1.72253e+04   -2.15664e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18814e+04   -1.73633e+06    3.44531e+05   -1.39180e+06    4.66038e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09203e+02   -2.12879e+02   -4.46446e+01    3.73247e-06

           Step           Time
      242655000   485310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32960e+03    1.84728e+04    1.22544e+04    1.04317e+03   -2.92898e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43824e+03    1.04399e+05    2.81688e+05   -1.71612e+04   -2.15681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22517e+04   -1.73502e+06    3.46847e+05   -1.38817e+06    4.65689e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11281e+02   -2.11300e+02    3.56870e+01    3.78982e-06

           Step           Time
      242660000   485320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44369e+03    1.77061e+04    1.22286e+04    9.91641e+02   -2.76496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51192e+03    1.04563e+05    2.79461e+05   -1.71913e+04   -2.15642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19811e+04   -1.73748e+06    3.43584e+05   -1.39390e+06    4.66362e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08353e+02   -2.12040e+02   -9.70336e+01    3.73679e-06

           Step           Time
      242665000   485330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46309e+03    1.85146e+04    1.21918e+04    1.05820e+03   -2.76539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39382e+03    1.04762e+05    2.81217e+05   -1.72099e+04   -2.15732e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20201e+04   -1.73568e+06    3.45611e+05   -1.39007e+06    4.66761e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10173e+02   -2.12500e+02    3.90233e+00    3.76527e-06

           Step           Time
      242670000   485340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57461e+03    1.80860e+04    1.25249e+04    1.05442e+03   -2.94383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50645e+03    1.04517e+05    2.81754e+05   -1.71813e+04   -2.15754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19843e+04   -1.73567e+06    3.45353e+05   -1.39031e+06    4.66734e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09941e+02   -2.11796e+02   -5.13640e+01    3.67398e-06

           Step           Time
      242675000   485350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50315e+03    1.80162e+04    1.24252e+04    1.11906e+03   -2.83354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41648e+03    1.04094e+05    2.80670e+05   -1.71749e+04   -2.15499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18427e+04   -1.73491e+06    3.46064e+05   -1.38885e+06    4.66870e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10579e+02   -2.11636e+02   -1.53105e+01    3.77471e-06

           Step           Time
      242680000   485360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36039e+03    1.83017e+04    1.23965e+04    1.04918e+03   -2.87775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40357e+03    1.04213e+05    2.82767e+05   -1.72442e+04   -2.15954e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19151e+04   -1.73726e+06    3.46271e+05   -1.39099e+06    4.67401e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10764e+02   -2.13345e+02    2.06057e+01    3.68120e-06

           Step           Time
      242685000   485370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44605e+03    1.82399e+04    1.23156e+04    1.06342e+03   -2.87535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44169e+03    1.04138e+05    2.80919e+05   -1.72313e+04   -2.15709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20581e+04   -1.73657e+06    3.45352e+05   -1.39122e+06    4.67932e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09940e+02   -2.13028e+02    1.54228e+01    3.69878e-06

           Step           Time
      242690000   485380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70392e+03    1.83955e+04    1.23555e+04    1.19335e+03   -2.85717e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43143e+03    1.04130e+05    2.79252e+05   -1.71360e+04   -2.15141e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21078e+04   -1.73183e+06    3.46730e+05   -1.38510e+06    4.68222e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11177e+02   -2.10680e+02   -1.16307e+02    3.76337e-06

           Step           Time
      242695000   485390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44091e+03    1.79788e+04    1.22351e+04    1.09967e+03   -2.77162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65121e+03    1.04746e+05    2.78487e+05   -1.72182e+04   -2.15503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19166e+04   -1.73646e+06    3.45474e+05   -1.39099e+06    4.68492e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10049e+02   -2.12704e+02   -6.81011e+01    3.60638e-06

           Step           Time
      242700000   485400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69724e+03    1.84756e+04    1.24579e+04    1.09224e+03   -2.93932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45272e+03    1.04166e+05    2.81629e+05   -1.72012e+04   -2.15888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19022e+04   -1.73715e+06    3.46307e+05   -1.39084e+06    4.69204e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10797e+02   -2.12284e+02    8.37157e-01    3.71168e-06

           Step           Time
      242705000   485410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57957e+03    1.82247e+04    1.25120e+04    1.05234e+03   -2.92782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45095e+03    1.04007e+05    2.81429e+05   -1.71923e+04   -2.15466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20872e+04   -1.73344e+06    3.45398e+05   -1.38804e+06    4.68750e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09981e+02   -2.12066e+02    4.69807e+01    3.70893e-06

           Step           Time
      242710000   485420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30468e+03    1.83436e+04    1.22718e+04    1.14142e+03   -2.87465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48212e+03    1.04607e+05    2.79160e+05   -1.71729e+04   -2.15384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20044e+04   -1.73457e+06    3.46674e+05   -1.38790e+06    4.69215e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11126e+02   -2.11587e+02   -7.63135e+01    3.67286e-06

           Step           Time
      242715000   485430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49580e+03    1.85618e+04    1.23058e+04    1.00055e+03   -2.87680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51258e+03    1.04520e+05    2.78956e+05   -1.71891e+04   -2.15370e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19663e+04   -1.73445e+06    3.47445e+05   -1.38700e+06    4.69994e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11818e+02   -2.11988e+02   -7.79720e+01    3.83969e-06

           Step           Time
      242720000   485440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55450e+03    1.81488e+04    1.22663e+04    1.01685e+03   -2.94499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48638e+03    1.04322e+05    2.81464e+05   -1.71704e+04   -2.15603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21797e+04   -1.73470e+06    3.47648e+05   -1.38706e+06    4.69831e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12000e+02   -2.11526e+02   -1.39678e+01    3.68507e-06

           Step           Time
      242725000   485450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52949e+03    1.85707e+04    1.22816e+04    1.10790e+03   -2.80163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50340e+03    1.03636e+05    2.83610e+05   -1.72214e+04   -2.15894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17826e+04   -1.73594e+06    3.46459e+05   -1.38948e+06    4.70506e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10934e+02   -2.12784e+02    1.01435e+02    3.62542e-06

           Step           Time
      242730000   485460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56234e+03    1.79918e+04    1.23270e+04    1.13745e+03   -2.75939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52148e+03    1.04140e+05    2.78985e+05   -1.72012e+04   -2.15450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19506e+04   -1.73584e+06    3.44515e+05   -1.39133e+06    4.70725e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09188e+02   -2.12284e+02   -4.83775e+01    3.74916e-06

           Step           Time
      242735000   485470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68762e+03    1.82164e+04    1.23208e+04    1.09222e+03   -2.81967e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52273e+03    1.04152e+05    2.80715e+05   -1.71909e+04   -2.15279e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20795e+04   -1.73202e+06    3.46830e+05   -1.38519e+06    4.71544e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11267e+02   -2.12031e+02    3.78257e+01    3.65959e-06

           Step           Time
      242740000   485480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43532e+03    1.85511e+04    1.23355e+04    1.00257e+03   -2.75490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54232e+03    1.03698e+05    2.81346e+05   -1.71784e+04   -2.15667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19206e+04   -1.73577e+06    3.47069e+05   -1.38870e+06    4.71538e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11481e+02   -2.11722e+02    2.93787e+01    3.70516e-06

           Step           Time
      242745000   485490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51927e+03    1.84173e+04    1.24395e+04    9.96418e+02   -2.83301e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43214e+03    1.03943e+05    2.79271e+05   -1.71906e+04   -2.15407e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20045e+04   -1.73507e+06    3.46122e+05   -1.38895e+06    4.71526e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10631e+02   -2.12024e+02   -7.53922e+01    3.71678e-06

           Step           Time
      242750000   485500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43015e+03    1.81912e+04    1.25171e+04    1.00975e+03   -2.87239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44665e+03    1.03874e+05    2.82310e+05   -1.71832e+04   -2.15618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21543e+04   -1.73431e+06    3.45713e+05   -1.38859e+06    4.72031e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10264e+02   -2.11842e+02    2.99038e+01    3.89728e-06

           Step           Time
      242755000   485510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47237e+03    1.81159e+04    1.23441e+04    1.08696e+03   -2.76408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46244e+03    1.03627e+05    2.82937e+05   -1.72022e+04   -2.15686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17792e+04   -1.73500e+06    3.46254e+05   -1.38875e+06    4.71992e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10750e+02   -2.12308e+02    8.28062e+01    3.72884e-06

           Step           Time
      242760000   485520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83633e+03    1.83880e+04    1.23281e+04    1.02502e+03   -2.82196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55690e+03    1.03394e+05    2.80755e+05   -1.71812e+04   -2.15376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20698e+04   -1.73341e+06    3.46329e+05   -1.38708e+06    4.72756e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10817e+02   -2.11792e+02    4.28725e+00    3.65880e-06

           Step           Time
      242765000   485530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44105e+03    1.85236e+04    1.21691e+04    1.09380e+03   -2.68739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61576e+03    1.04208e+05    2.81687e+05   -1.72340e+04   -2.15553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21830e+04   -1.73353e+06    3.46366e+05   -1.38717e+06    4.72844e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10850e+02   -2.13095e+02    1.07680e+02    3.75258e-06

           Step           Time
      242770000   485540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49850e+03    1.83914e+04    1.22487e+04    1.05616e+03   -2.86927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38114e+03    1.03708e+05    2.79659e+05   -1.71700e+04   -2.15474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19671e+04   -1.73587e+06    3.47442e+05   -1.38842e+06    4.72941e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11816e+02   -2.11515e+02   -8.13618e+01    3.77107e-06

           Step           Time
      242775000   485550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70713e+03    1.82210e+04    1.23078e+04    1.03882e+03   -2.82707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52062e+03    1.03573e+05    2.80363e+05   -1.71901e+04   -2.15527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20640e+04   -1.73550e+06    3.46207e+05   -1.38929e+06    4.73369e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10707e+02   -2.12010e+02   -1.99018e+01    3.68735e-06

           Step           Time
      242780000   485560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54588e+03    1.80971e+04    1.22898e+04    1.12124e+03   -2.80872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44340e+03    1.04204e+05    2.79767e+05   -1.71931e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19083e+04   -1.73619e+06    3.46010e+05   -1.39018e+06    4.73466e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10530e+02   -2.12085e+02   -7.37776e+01    3.76010e-06

           Step           Time
      242785000   485570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34294e+03    1.82413e+04    1.24533e+04    1.10475e+03   -2.79058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47498e+03    1.04148e+05    2.82131e+05   -1.71954e+04   -2.15765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21902e+04   -1.73555e+06    3.46064e+05   -1.38949e+06    4.73841e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10579e+02   -2.12142e+02    3.61831e+01    3.69387e-06

           Step           Time
      242790000   485580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57397e+03    1.80528e+04    1.20848e+04    1.11418e+03   -2.83823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45816e+03    1.04060e+05    2.79059e+05   -1.71702e+04   -2.15362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21272e+04   -1.73510e+06    3.44556e+05   -1.39054e+06    4.74326e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09226e+02   -2.11522e+02   -9.27224e+01    3.67234e-06

           Step           Time
      242795000   485590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50998e+03    1.82664e+04    1.25601e+04    1.02417e+03   -2.83965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52382e+03    1.04086e+05    2.80125e+05   -1.71972e+04   -2.15425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19444e+04   -1.73425e+06    3.46581e+05   -1.38767e+06    4.74170e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11043e+02   -2.12187e+02   -4.54447e+01    3.71028e-06

           Step           Time
      242800000   485600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37965e+03    1.85243e+04    1.22983e+04    1.10638e+03   -2.85985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44238e+03    1.03814e+05    2.79771e+05   -1.72153e+04   -2.15426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21035e+04   -1.73490e+06    3.46075e+05   -1.38882e+06    4.74694e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10588e+02   -2.12632e+02   -1.07344e+01    3.76654e-06

           Step           Time
      242805000   485610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34275e+03    1.82138e+04    1.23917e+04    1.07033e+03   -2.75429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61916e+03    1.03865e+05    2.80498e+05   -1.71913e+04   -2.15363e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19322e+04   -1.73364e+06    3.45930e+05   -1.38771e+06    4.74760e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10459e+02   -2.12042e+02    9.42632e+01    3.81262e-06

           Step           Time
      242810000   485620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52285e+03    1.80264e+04    1.22570e+04    1.07915e+03   -2.66745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56370e+03    1.03840e+05    2.80604e+05   -1.71921e+04   -2.15469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19874e+04   -1.73467e+06    3.45404e+05   -1.38927e+06    4.75152e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09986e+02   -2.12060e+02    3.03771e+00    3.63152e-06

           Step           Time
      242815000   485630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67180e+03    1.78033e+04    1.27317e+04    1.10217e+03   -2.78311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35642e+03    1.03570e+05    2.79900e+05   -1.71862e+04   -2.15360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22382e+04   -1.73420e+06    3.44267e+05   -1.38993e+06    4.75032e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08967e+02   -2.11914e+02   -6.33570e+01    3.76318e-06

           Step           Time
      242820000   485640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74092e+03    1.83765e+04    1.24167e+04    1.11338e+03   -2.81328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38327e+03    1.03855e+05    2.82639e+05   -1.72391e+04   -2.15764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19003e+04   -1.73527e+06    3.47297e+05   -1.38797e+06    4.75681e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11685e+02   -2.13221e+02    1.31496e+02    3.85335e-06

           Step           Time
      242825000   485650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44574e+03    1.82619e+04    1.25057e+04    1.09565e+03   -2.85027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52800e+03    1.04544e+05    2.83143e+05   -1.71707e+04   -2.15687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19828e+04   -1.73339e+06    3.47582e+05   -1.38581e+06    4.75638e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11941e+02   -2.11533e+02    7.39265e+01    3.74259e-06

           Step           Time
      242830000   485660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66511e+03    1.78493e+04    1.25295e+04    1.06775e+03   -2.87161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40647e+03    1.04273e+05    2.78287e+05   -1.71956e+04   -2.15328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20265e+04   -1.73524e+06    3.46248e+05   -1.38900e+06    4.75915e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10744e+02   -2.12146e+02   -1.19960e+02    3.68462e-06

           Step           Time
      242835000   485670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46308e+03    1.82766e+04    1.26393e+04    1.14584e+03   -2.91652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47902e+03    1.04372e+05    2.79322e+05   -1.71787e+04   -2.15391e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20002e+04   -1.73431e+06    3.45983e+05   -1.38833e+06    4.76502e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10506e+02   -2.11731e+02   -4.50224e+01    3.54064e-06

           Step           Time
      242840000   485680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78071e+03    1.77586e+04    1.22427e+04    1.03705e+03   -2.86625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48190e+03    1.04059e+05    2.80627e+05   -1.71745e+04   -2.15370e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20703e+04   -1.73368e+06    3.47552e+05   -1.38613e+06    4.76399e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11915e+02   -2.11627e+02   -3.65365e+01    3.63548e-06

           Step           Time
      242845000   485690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73588e+03    1.80165e+04    1.23638e+04    1.08178e+03   -2.89424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51674e+03    1.03662e+05    2.79530e+05   -1.71893e+04   -2.15303e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19524e+04   -1.73425e+06    3.48462e+05   -1.38579e+06    4.76502e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12731e+02   -2.11991e+02    3.46686e+01    3.66429e-06

           Step           Time
      242850000   485700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50195e+03    1.81121e+04    1.24067e+04    1.08384e+03   -2.86596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56849e+03    1.04788e+05    2.81643e+05   -1.71651e+04   -2.15394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21737e+04   -1.73169e+06    3.46710e+05   -1.38498e+06    4.77242e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11158e+02   -2.11396e+02    1.36826e+02    3.81796e-06

           Step           Time
      242855000   485710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49589e+03    1.83446e+04    1.23440e+04    1.16698e+03   -2.84056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48647e+03    1.03813e+05    2.79794e+05   -1.71562e+04   -2.15353e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21237e+04   -1.73396e+06    3.47894e+05   -1.38607e+06    4.76771e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12221e+02   -2.11177e+02   -6.42655e+01    3.94432e-06

           Step           Time
      242860000   485720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72905e+03    1.82614e+04    1.25292e+04    1.09214e+03   -3.01909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38707e+03    1.03715e+05    2.81221e+05   -1.71945e+04   -2.15716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20555e+04   -1.73638e+06    3.47541e+05   -1.38884e+06    4.77512e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11905e+02   -2.12120e+02   -6.94179e+01    3.77568e-06

           Step           Time
      242865000   485730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56328e+03    1.83996e+04    1.23660e+04    1.01147e+03   -2.74140e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37843e+03    1.03799e+05    2.80563e+05   -1.71241e+04   -2.15181e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20632e+04   -1.73153e+06    3.45807e+05   -1.38573e+06    4.77644e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10348e+02   -2.10388e+02   -3.71534e+01    3.71536e-06

           Step           Time
      242870000   485740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28556e+03    1.80665e+04    1.21993e+04    1.03730e+03   -2.90000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50631e+03    1.04055e+05    2.82512e+05   -1.71850e+04   -2.15758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19491e+04   -1.73606e+06    3.44280e+05   -1.39178e+06    4.78102e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08978e+02   -2.11886e+02   -1.24485e+01    3.82751e-06

           Step           Time
      242875000   485750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40757e+03    1.83509e+04    1.25077e+04    1.03817e+03   -2.86803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53935e+03    1.03880e+05    2.79370e+05   -1.72089e+04   -2.15545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18684e+04   -1.73657e+06    3.47016e+05   -1.38955e+06    4.78360e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11433e+02   -2.12474e+02   -5.30894e+01    3.61082e-06

           Step           Time
      242880000   485760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64264e+03    1.81300e+04    1.23326e+04    1.03198e+03   -2.81904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52392e+03    1.04081e+05    2.82707e+05   -1.71792e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19293e+04   -1.73336e+06    3.47319e+05   -1.38605e+06    4.78448e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11705e+02   -2.11743e+02    1.09309e+02    3.79761e-06

           Step           Time
      242885000   485770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46412e+03    1.85305e+04    1.22879e+04    1.09250e+03   -2.83453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45323e+03    1.04127e+05    2.81159e+05   -1.72139e+04   -2.15558e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19577e+04   -1.73456e+06    3.46130e+05   -1.38843e+06    4.79162e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10638e+02   -2.12599e+02    1.81605e+01    3.78367e-06

           Step           Time
      242890000   485780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41550e+03    1.81943e+04    1.22426e+04    1.06798e+03   -2.83023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51849e+03    1.04145e+05    2.80405e+05   -1.71936e+04   -2.15519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20641e+04   -1.73516e+06    3.46156e+05   -1.38901e+06    4.79029e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10661e+02   -2.12097e+02   -1.09159e+01    3.67495e-06

           Step           Time
      242895000   485790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53109e+03    1.80593e+04    1.23983e+04    1.11637e+03   -2.78863e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53594e+03    1.03961e+05    2.81557e+05   -1.71439e+04   -2.15448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21546e+04   -1.73310e+06    3.47113e+05   -1.38599e+06    4.79380e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11520e+02   -2.10875e+02    4.55839e+01    3.79871e-06

           Step           Time
      242900000   485800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56604e+03    1.81775e+04    1.21208e+04    1.05523e+03   -2.93381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39106e+03    1.03816e+05    2.80782e+05   -1.71635e+04   -2.15383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19958e+04   -1.73403e+06    3.45444e+05   -1.38858e+06    4.79932e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10023e+02   -2.11356e+02   -3.18502e+01    3.60376e-06

           Step           Time
      242905000   485810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45974e+03    1.80748e+04    1.23734e+04    1.12364e+03   -2.78896e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57457e+03    1.03652e+05    2.81949e+05   -1.71959e+04   -2.15751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19683e+04   -1.73632e+06    3.45579e+05   -1.39074e+06    4.80140e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10144e+02   -2.12155e+02    5.44004e+01    3.69476e-06

           Step           Time
      242910000   485820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58039e+03    1.82856e+04    1.24452e+04    1.09598e+03   -2.89734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51059e+03    1.04034e+05    2.79659e+05   -1.71564e+04   -2.15113e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20479e+04   -1.73153e+06    3.45878e+05   -1.38565e+06    4.80798e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10412e+02   -2.11182e+02   -6.18312e+01    3.77228e-06

           Step           Time
      242915000   485830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36820e+03    1.82082e+04    1.24383e+04    1.13652e+03   -2.93390e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43951e+03    1.03869e+05    2.80046e+05   -1.71851e+04   -2.15490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20667e+04   -1.73544e+06    3.46204e+05   -1.38924e+06    4.80850e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10704e+02   -2.11888e+02   -2.81720e+01    3.77376e-06

           Step           Time
      242920000   485840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42676e+03    1.81006e+04    1.21996e+04    1.13155e+03   -2.75306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57771e+03    1.04358e+05    2.79901e+05   -1.72425e+04   -2.15380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19898e+04   -1.73411e+06    3.45692e+05   -1.38842e+06    4.81374e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10245e+02   -2.13305e+02    8.62271e+01    3.69421e-06

           Step           Time
      242925000   485850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49923e+03    1.82636e+04    1.21204e+04    1.03035e+03   -2.91077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40319e+03    1.04473e+05    2.79969e+05   -1.72180e+04   -2.15589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19968e+04   -1.73627e+06    3.46015e+05   -1.39025e+06    4.81706e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10535e+02   -2.12699e+02   -5.03687e+01    3.78465e-06

           Step           Time
      242930000   485860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67275e+03    1.82498e+04    1.23299e+04    1.06551e+03   -2.98497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41663e+03    1.03572e+05    2.81814e+05   -1.71923e+04   -2.15482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18704e+04   -1.73401e+06    3.45559e+05   -1.38845e+06    4.82141e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10126e+02   -2.12065e+02   -3.26874e+01    3.55979e-06

           Step           Time
      242935000   485870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86179e+03    1.80566e+04    1.24662e+04    1.00293e+03   -2.85058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40419e+03    1.04187e+05    2.81593e+05   -1.71870e+04   -2.15606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20133e+04   -1.73452e+06    3.47224e+05   -1.38729e+06    4.82346e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11620e+02   -2.11935e+02   -8.22221e+00    3.94484e-06

           Step           Time
      242940000   485880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53214e+03    1.82441e+04    1.23354e+04    1.09907e+03   -2.81403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43964e+03    1.04416e+05    2.81440e+05   -1.72058e+04   -2.15685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19524e+04   -1.73541e+06    3.46968e+05   -1.38844e+06    4.82470e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11391e+02   -2.12399e+02    3.18122e+00    3.77969e-06

           Step           Time
      242945000   485890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54863e+03    1.78715e+04    1.21903e+04    1.12587e+03   -2.84893e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53798e+03    1.04302e+05    2.80515e+05   -1.71735e+04   -2.15414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19943e+04   -1.73407e+06    3.46161e+05   -1.38791e+06    4.82961e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10666e+02   -2.11603e+02   -1.80668e+01    3.82709e-06

           Step           Time
      242950000   485900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49090e+03    1.80992e+04    1.24404e+04    1.12290e+03   -2.92602e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55187e+03    1.04043e+05    2.81522e+05   -1.71521e+04   -2.15506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19666e+04   -1.73390e+06    3.45294e+05   -1.38861e+06    4.82971e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09888e+02   -2.11075e+02    6.25372e+01    3.69121e-06

           Step           Time
      242955000   485910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94940e+03    1.81569e+04    1.23010e+04    1.07458e+03   -2.81917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34365e+03    1.03788e+05    2.80726e+05   -1.72012e+04   -2.15648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20226e+04   -1.73613e+06    3.47350e+05   -1.38878e+06    4.83058e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11733e+02   -2.12285e+02   -1.09992e+02    3.67055e-06

           Step           Time
      242960000   485920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55447e+03    1.83255e+04    1.24244e+04    1.12431e+03   -2.88020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38531e+03    1.04255e+05    2.82264e+05   -1.72181e+04   -2.16001e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19492e+04   -1.73783e+06    3.46457e+05   -1.39137e+06    4.83480e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.12701e+02   -3.02161e+00    3.65325e-06

           Step           Time
      242965000   485930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68128e+03    1.83451e+04    1.21711e+04    1.00215e+03   -2.87777e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53264e+03    1.04055e+05    2.82061e+05   -1.72041e+04   -2.15846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20235e+04   -1.73667e+06    3.47223e+05   -1.38945e+06    4.83648e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11619e+02   -2.12355e+02    6.27577e+01    3.71807e-06

           Step           Time
      242970000   485940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41720e+03    1.81857e+04    1.21791e+04    1.09811e+03   -2.88888e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53480e+03    1.04102e+05    2.83464e+05   -1.71670e+04   -2.15839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20241e+04   -1.73545e+06    3.45928e+05   -1.38952e+06    4.84066e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10457e+02   -2.11442e+02    8.09222e+01    3.86514e-06

Writing checkpoint, step 242974700 at Sat Dec  2 02:23:07 2023


           Step           Time
      242975000   485950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48707e+03    1.82417e+04    1.24543e+04    1.08689e+03   -2.74304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43203e+03    1.04416e+05    2.82641e+05   -1.72258e+04   -2.15926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18722e+04   -1.73659e+06    3.46514e+05   -1.39008e+06    4.84316e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10982e+02   -2.12892e+02    1.05665e+02    3.79915e-06

           Step           Time
      242980000   485960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63197e+03    1.88339e+04    1.23718e+04    1.11059e+03   -2.73963e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44798e+03    1.04002e+05    2.79876e+05   -1.71853e+04   -2.15289e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20752e+04   -1.73246e+06    3.47524e+05   -1.38494e+06    4.84996e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11889e+02   -2.11892e+02    1.04762e+01    3.79186e-06

           Step           Time
      242985000   485970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78182e+03    1.82691e+04    1.22750e+04    1.05299e+03   -2.88094e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43267e+03    1.03988e+05    2.81580e+05   -1.71868e+04   -2.15683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19630e+04   -1.73555e+06    3.45294e+05   -1.39026e+06    4.85082e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09888e+02   -2.11930e+02   -4.08902e+00    3.65210e-06

           Step           Time
      242990000   485980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79022e+03    1.83487e+04    1.23431e+04    1.07582e+03   -2.85304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42730e+03    1.04122e+05    2.79963e+05   -1.72004e+04   -2.15408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18956e+04   -1.73417e+06    3.47589e+05   -1.38658e+06    4.85729e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11948e+02   -2.12264e+02   -7.06830e+01    3.78370e-06

           Step           Time
      242995000   485990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43892e+03    1.83884e+04    1.24255e+04    1.07539e+03   -2.93182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49413e+03    1.04106e+05    2.80823e+05   -1.71914e+04   -2.15448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21885e+04   -1.73367e+06    3.46925e+05   -1.38674e+06    4.85581e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11352e+02   -2.12042e+02    5.01988e+01    3.79150e-06

           Step           Time
      243000000   486000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48154e+03    1.83653e+04    1.22687e+04    1.03048e+03   -2.93737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46697e+03    1.04071e+05    2.83764e+05   -1.72244e+04   -2.16185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19850e+04   -1.73858e+06    3.47527e+05   -1.39105e+06    4.85462e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11892e+02   -2.12857e+02    9.87447e+01    3.84821e-06

           Step           Time
      243005000   486010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36518e+03    1.82025e+04    1.24230e+04    1.12467e+03   -2.83870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43958e+03    1.04218e+05    2.82878e+05   -1.71989e+04   -2.15772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18270e+04   -1.73528e+06    3.47077e+05   -1.38821e+06    4.86014e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11488e+02   -2.12228e+02    9.61977e+01    3.73092e-06

           Step           Time
      243010000   486020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47975e+03    1.81901e+04    1.24230e+04    1.09618e+03   -2.81199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41357e+03    1.04236e+05    2.82229e+05   -1.71788e+04   -2.15689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20191e+04   -1.73479e+06    3.47769e+05   -1.38703e+06    4.85939e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12109e+02   -2.11734e+02    8.37436e+00    3.84788e-06

           Step           Time
      243015000   486030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69365e+03    1.80690e+04    1.23586e+04    1.09651e+03   -2.74457e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43140e+03    1.04588e+05    2.78383e+05   -1.71899e+04   -2.15270e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20325e+04   -1.73398e+06    3.48674e+05   -1.38531e+06    4.86328e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12921e+02   -2.12007e+02   -8.37000e+01    3.74899e-06

           Step           Time
      243020000   486040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49646e+03    1.79204e+04    1.23692e+04    1.09758e+03   -2.79520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40222e+03    1.03946e+05    2.84548e+05   -1.72234e+04   -2.16245e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19083e+04   -1.73878e+06    3.45942e+05   -1.39284e+06    4.86952e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10469e+02   -2.12833e+02    9.23139e+01    3.60476e-06

           Step           Time
      243025000   486050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50708e+03    1.83998e+04    1.25175e+04    1.15391e+03   -2.82950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42653e+03    1.04182e+05    2.81668e+05   -1.71765e+04   -2.15571e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22228e+04   -1.73364e+06    3.47303e+05   -1.38634e+06    4.87056e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11691e+02   -2.11676e+02    6.93081e+00    3.66313e-06

           Step           Time
      243030000   486060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35558e+03    1.79333e+04    1.23950e+04    1.11311e+03   -2.89003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45735e+03    1.04613e+05    2.79741e+05   -1.71931e+04   -2.15610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21493e+04   -1.73642e+06    3.46236e+05   -1.39019e+06    4.87336e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10733e+02   -2.12085e+02   -8.78928e+01    3.74654e-06

           Step           Time
      243035000   486070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37353e+03    1.82257e+04    1.23777e+04    1.11121e+03   -2.86432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50640e+03    1.03843e+05    2.79689e+05   -1.71314e+04   -2.15158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20981e+04   -1.73235e+06    3.47472e+05   -1.38488e+06    4.87189e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11843e+02   -2.10568e+02   -1.31099e+01    3.76196e-06

           Step           Time
      243040000   486080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53184e+03    1.86862e+04    1.23655e+04    1.03811e+03   -2.95639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33830e+03    1.04289e+05    2.80250e+05   -1.71898e+04   -2.15399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19983e+04   -1.73364e+06    3.46086e+05   -1.38755e+06    4.88214e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10599e+02   -2.12003e+02   -2.22004e+01    3.63242e-06

           Step           Time
      243045000   486090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39566e+03    1.82526e+04    1.22497e+04    1.12008e+03   -2.80150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66209e+03    1.04023e+05    2.82558e+05   -1.72057e+04   -2.15665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20479e+04   -1.73435e+06    3.47813e+05   -1.38654e+06    4.88148e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12149e+02   -2.12396e+02    1.53152e+02    3.74766e-06

           Step           Time
      243050000   486100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41379e+03    1.81439e+04    1.24712e+04    1.16666e+03   -2.77475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51086e+03    1.04894e+05    2.79967e+05   -1.71600e+04   -2.15518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19132e+04   -1.73463e+06    3.44751e+05   -1.38988e+06    4.88528e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09400e+02   -2.11271e+02   -6.42513e+00    3.74443e-06

           Step           Time
      243055000   486110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70865e+03    1.84102e+04    1.24249e+04    1.11163e+03   -2.83414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37261e+03    1.04374e+05    2.80483e+05   -1.71992e+04   -2.15673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19961e+04   -1.73588e+06    3.47353e+05   -1.38853e+06    4.89059e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11736e+02   -2.12235e+02   -1.05446e+02    3.71848e-06

           Step           Time
      243060000   486120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48888e+03    1.82821e+04    1.21712e+04    1.09391e+03   -2.81554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56074e+03    1.04454e+05    2.82010e+05   -1.71790e+04   -2.15711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20788e+04   -1.73496e+06    3.47200e+05   -1.38776e+06    4.89309e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11598e+02   -2.11737e+02    6.03576e+01    3.67765e-06

           Step           Time
      243065000   486130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66523e+03    1.84910e+04    1.23510e+04    1.06488e+03   -2.78443e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39781e+03    1.04096e+05    2.79283e+05   -1.71674e+04   -2.15084e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18660e+04   -1.73158e+06    3.46963e+05   -1.38462e+06    4.89366e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11386e+02   -2.11453e+02   -8.84379e+01    3.66250e-06

           Step           Time
      243070000   486140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80134e+03    1.82246e+04    1.22592e+04    1.08116e+03   -2.78783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47294e+03    1.04807e+05    2.81864e+05   -1.72339e+04   -2.15733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20029e+04   -1.73484e+06    3.47483e+05   -1.38736e+06    4.89830e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11852e+02   -2.13092e+02    1.11772e+02    3.72209e-06

           Step           Time
      243075000   486150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37928e+03    1.79846e+04    1.23707e+04    1.15134e+03   -2.70002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49178e+03    1.04056e+05    2.80541e+05   -1.71713e+04   -2.15559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18542e+04   -1.73564e+06    3.45784e+05   -1.38985e+06    4.89760e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10328e+02   -2.11549e+02    9.60855e+00    3.73499e-06

           Step           Time
      243080000   486160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75239e+03    1.82474e+04    1.25324e+04    1.15600e+03   -2.80883e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58020e+03    1.04016e+05    2.79070e+05   -1.72183e+04   -2.15532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19493e+04   -1.73604e+06    3.47146e+05   -1.38890e+06    4.90570e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11550e+02   -2.12706e+02   -7.51742e+01    3.80483e-06

           Step           Time
      243085000   486170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26106e+03    1.80978e+04    1.23399e+04    1.09928e+03   -2.75099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49028e+03    1.04464e+05    2.83913e+05   -1.72386e+04   -2.16155e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19456e+04   -1.73792e+06    3.46849e+05   -1.39108e+06    4.90656e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11283e+02   -2.13208e+02    1.13924e+02    3.72687e-06

           Step           Time
      243090000   486180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58370e+03    1.82329e+04    1.24907e+04    1.09719e+03   -2.82832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48634e+03    1.04138e+05    2.79418e+05   -1.72277e+04   -2.15456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19151e+04   -1.73526e+06    3.45914e+05   -1.38934e+06    4.90769e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10444e+02   -2.12938e+02   -4.76335e+01    3.61045e-06

           Step           Time
      243095000   486190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56964e+03    1.81299e+04    1.23314e+04    1.04362e+03   -2.78536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49358e+03    1.04444e+05    2.79804e+05   -1.71456e+04   -2.15447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19679e+04   -1.73462e+06    3.46879e+05   -1.38774e+06    4.90846e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11310e+02   -2.10917e+02   -1.23935e+02    3.66992e-06

           Step           Time
      243100000   486200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37286e+03    1.83187e+04    1.21945e+04    1.11276e+03   -2.75956e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50345e+03    1.04263e+05    2.78864e+05   -1.71807e+04   -2.15487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19633e+04   -1.73622e+06    3.45339e+05   -1.39088e+06    4.91905e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09928e+02   -2.11780e+02   -7.30965e+01    3.66731e-06

           Step           Time
      243105000   486210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66699e+03    1.79773e+04    1.22600e+04    1.05269e+03   -2.90036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52682e+03    1.03668e+05    2.79946e+05   -1.71794e+04   -2.15487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19760e+04   -1.73587e+06    3.45401e+05   -1.39047e+06    4.92038e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09984e+02   -2.11748e+02   -5.90004e+01    3.58971e-06

           Step           Time
      243110000   486220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62992e+03    1.82205e+04    1.22706e+04    1.11254e+03   -2.82029e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36162e+03    1.04268e+05    2.82599e+05   -1.72205e+04   -2.15807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20759e+04   -1.73557e+06    3.46897e+05   -1.38868e+06    4.92268e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11326e+02   -2.12762e+02    6.93520e+01    3.71742e-06

           Step           Time
      243115000   486230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47109e+03    1.83621e+04    1.24817e+04    1.11471e+03   -2.77885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59689e+03    1.03455e+05    2.81456e+05   -1.72034e+04   -2.15478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20926e+04   -1.73373e+06    3.46209e+05   -1.38752e+06    4.92486e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10709e+02   -2.12340e+02    1.12655e+02    3.88814e-06

           Step           Time
      243120000   486240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24826e+03    1.84263e+04    1.24935e+04    1.14099e+03   -2.73245e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58669e+03    1.03864e+05    2.79187e+05   -1.72020e+04   -2.15433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20375e+04   -1.73528e+06    3.45869e+05   -1.38941e+06    4.92534e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10404e+02   -2.12304e+02   -3.31857e+01    3.53068e-06

           Step           Time
      243125000   486250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42550e+03    1.82229e+04    1.23750e+04    1.03645e+03   -2.81589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53065e+03    1.04161e+05    2.78722e+05   -1.72276e+04   -2.15321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20421e+04   -1.73474e+06    3.47138e+05   -1.38760e+06    4.92664e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11543e+02   -2.12935e+02   -4.36827e+01    3.88633e-06

           Step           Time
      243130000   486260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60453e+03    1.80224e+04    1.24949e+04    1.03308e+03   -2.83912e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54738e+03    1.03772e+05    2.80442e+05   -1.72331e+04   -2.15480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19518e+04   -1.73500e+06    3.47227e+05   -1.38778e+06    4.92909e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11623e+02   -2.13072e+02    3.10166e+01    3.74783e-06

           Step           Time
      243135000   486270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50893e+03    1.81301e+04    1.22410e+04    1.11402e+03   -2.83144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48352e+03    1.03805e+05    2.83302e+05   -1.72110e+04   -2.15897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19488e+04   -1.73648e+06    3.45051e+05   -1.39143e+06    4.93361e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09670e+02   -2.12527e+02    8.15876e+01    3.53906e-06

           Step           Time
      243140000   486280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63717e+03    1.85260e+04    1.22977e+04    1.08698e+03   -2.70823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47381e+03    1.04348e+05    2.82688e+05   -1.72399e+04   -2.16010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17672e+04   -1.73722e+06    3.46991e+05   -1.39023e+06    4.94104e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11411e+02   -2.13240e+02    7.60864e+01    3.72646e-06

           Step           Time
      243145000   486290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61083e+03    1.82773e+04    1.24492e+04    1.09774e+03   -2.74023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39055e+03    1.04053e+05    2.77433e+05   -1.71316e+04   -2.15011e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19698e+04   -1.73271e+06    3.45966e+05   -1.38674e+06    4.93985e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10492e+02   -2.10572e+02   -1.56602e+02    3.89337e-06

           Step           Time
      243150000   486300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50677e+03    1.84996e+04    1.22152e+04    1.12022e+03   -2.84758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58507e+03    1.03911e+05    2.81576e+05   -1.71841e+04   -2.15746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19303e+04   -1.73615e+06    3.45016e+05   -1.39113e+06    4.94698e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09638e+02   -2.11864e+02    2.25463e+01    3.69996e-06

           Step           Time
      243155000   486310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46699e+03    1.82072e+04    1.22537e+04    1.06304e+03   -2.74554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59421e+03    1.04070e+05    2.82423e+05   -1.72368e+04   -2.15859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20428e+04   -1.73645e+06    3.46134e+05   -1.39032e+06    4.95064e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10642e+02   -2.13165e+02    1.60879e+02    3.69956e-06

           Step           Time
      243160000   486320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68964e+03    1.81667e+04    1.22948e+04    1.09805e+03   -2.74462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47308e+03    1.03917e+05    2.81066e+05   -1.71373e+04   -2.15459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19916e+04   -1.73378e+06    3.46976e+05   -1.38680e+06    4.94981e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11397e+02   -2.10714e+02   -6.95559e+01    3.76307e-06

           Step           Time
      243165000   486330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30100e+03    1.83722e+04    1.23374e+04    1.07675e+03   -2.82596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57350e+03    1.03899e+05    2.82702e+05   -1.71978e+04   -2.15763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19711e+04   -1.73542e+06    3.45446e+05   -1.38997e+06    4.95529e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10025e+02   -2.12201e+02    1.03378e+02    3.72468e-06

           Step           Time
      243170000   486340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47735e+03    1.76976e+04    1.22678e+04    9.50490e+02   -2.69322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50552e+03    1.04081e+05    2.81459e+05   -1.71830e+04   -2.16018e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20480e+04   -1.73957e+06    3.46102e+05   -1.39347e+06    4.95236e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10614e+02   -2.11838e+02   -5.28602e+01    3.65710e-06

           Step           Time
      243175000   486350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76331e+03    1.81130e+04    1.24791e+04    1.05466e+03   -2.86319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52443e+03    1.04067e+05    2.78303e+05   -1.71963e+04   -2.15297e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20199e+04   -1.73471e+06    3.47031e+05   -1.38768e+06    4.95649e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11447e+02   -2.12163e+02   -1.12161e+02    3.65051e-06

           Step           Time
      243180000   486360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28421e+03    1.81628e+04    1.24430e+04    1.04921e+03   -2.77139e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64740e+03    1.04034e+05    2.82681e+05   -1.72151e+04   -2.15882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19476e+04   -1.73656e+06    3.46558e+05   -1.39000e+06    4.95931e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11022e+02   -2.12627e+02    1.59339e+02    3.70037e-06

           Step           Time
      243185000   486370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20152e+03    1.81995e+04    1.23369e+04    1.04558e+03   -2.94258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54266e+03    1.04325e+05    2.80924e+05   -1.71772e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18193e+04   -1.73528e+06    3.45380e+05   -1.38990e+06    4.96080e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09965e+02   -2.11695e+02    3.46213e+01    3.59392e-06

           Step           Time
      243190000   486380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50568e+03    1.81612e+04    1.22699e+04    1.17068e+03   -2.77178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45933e+03    1.04377e+05    2.81410e+05   -1.72027e+04   -2.15682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20361e+04   -1.73540e+06    3.47004e+05   -1.38840e+06    4.96312e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11423e+02   -2.12322e+02    4.30787e+01    3.81207e-06

           Step           Time
      243195000   486390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45461e+03    1.79797e+04    1.22564e+04    1.07676e+03   -2.73811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51038e+03    1.05087e+05    2.79254e+05   -1.72235e+04   -2.15710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19079e+04   -1.73753e+06    3.47247e+05   -1.39028e+06    4.96822e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11641e+02   -2.12836e+02   -5.81267e+01    3.50543e-06

           Step           Time
      243200000   486400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31453e+03    1.82826e+04    1.21607e+04    1.02543e+03   -2.83303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55088e+03    1.04499e+05    2.81525e+05   -1.72190e+04   -2.15733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21344e+04   -1.73589e+06    3.46539e+05   -1.38935e+06    4.97058e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11005e+02   -2.12725e+02    1.00170e+02    3.75405e-06

           Step           Time
      243205000   486410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60885e+03    1.86874e+04    1.23347e+04    1.09806e+03   -2.84927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34275e+03    1.04131e+05    2.80462e+05   -1.71939e+04   -2.15516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20627e+04   -1.73447e+06    3.48369e+05   -1.38610e+06    4.97391e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12648e+02   -2.12106e+02   -3.82462e+01    3.74314e-06

           Step           Time
      243210000   486420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49892e+03    1.83937e+04    1.22703e+04    9.64217e+02   -2.87170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51021e+03    1.04171e+05    2.80702e+05   -1.71505e+04   -2.15655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19338e+04   -1.73613e+06    3.44710e+05   -1.39142e+06    4.97736e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09364e+02   -2.11036e+02   -5.30293e+01    3.56451e-06

           Step           Time
      243215000   486430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44512e+03    1.82922e+04    1.23790e+04    1.13080e+03   -2.71469e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46999e+03    1.04448e+05    2.80577e+05   -1.71806e+04   -2.15603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19367e+04   -1.73525e+06    3.47299e+05   -1.38795e+06    4.97479e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11687e+02   -2.11776e+02    1.76702e+01    3.76368e-06

           Step           Time
      243220000   486440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41338e+03    1.83803e+04    1.23333e+04    1.11022e+03   -2.76542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62787e+03    1.04766e+05    2.82338e+05   -1.71992e+04   -2.15775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19074e+04   -1.73484e+06    3.48101e+05   -1.38674e+06    4.97969e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12407e+02   -2.12235e+02    1.48761e+02    3.56803e-06

           Step           Time
      243225000   486450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59586e+03    1.82871e+04    1.24218e+04    1.07919e+03   -2.89650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50001e+03    1.04400e+05    2.80999e+05   -1.72143e+04   -2.15675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18672e+04   -1.73571e+06    3.47182e+05   -1.38853e+06    4.98346e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11582e+02   -2.12608e+02    6.18174e+01    3.61395e-06

           Step           Time
      243230000   486460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50523e+03    1.84597e+04    1.22200e+04    1.08847e+03   -2.88988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38919e+03    1.04597e+05    2.79859e+05   -1.71576e+04   -2.15448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19400e+04   -1.73447e+06    3.47582e+05   -1.38689e+06    4.98358e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11941e+02   -2.11212e+02   -7.60447e+01    3.76575e-06

           Step           Time
      243235000   486470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54885e+03    1.80638e+04    1.23598e+04    1.09612e+03   -2.83510e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50794e+03    1.04967e+05    2.80798e+05   -1.71441e+04   -2.15506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19021e+04   -1.73380e+06    3.47976e+05   -1.38582e+06    4.98771e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12295e+02   -2.10880e+02   -3.51519e+01    3.83525e-06

           Step           Time
      243240000   486480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.05200e+03    1.80241e+04    1.24363e+04    1.04695e+03   -2.83681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61525e+03    1.04905e+05    2.78802e+05   -1.71925e+04   -2.15515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19691e+04   -1.73632e+06    3.45195e+05   -1.39113e+06    4.99108e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09799e+02   -2.12069e+02   -4.18535e+01    3.74211e-06

           Step           Time
      243245000   486490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57147e+03    1.80808e+04    1.24516e+04    1.02577e+03   -2.76406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52794e+03    1.04680e+05    2.80804e+05   -1.72034e+04   -2.15740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19941e+04   -1.73623e+06    3.46153e+05   -1.39008e+06    4.99490e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10659e+02   -2.12340e+02   -5.26309e-01    3.76203e-06

           Step           Time
      243250000   486500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56026e+03    1.82396e+04    1.21766e+04    1.06575e+03   -2.75064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52084e+03    1.04680e+05    2.83754e+05   -1.71816e+04   -2.15854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21022e+04   -1.73437e+06    3.45014e+05   -1.38935e+06    5.00448e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09636e+02   -2.11803e+02    1.66708e+02    3.71794e-06

           Step           Time
      243255000   486510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57780e+03    1.83952e+04    1.23777e+04    1.03934e+03   -2.83827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51810e+03    1.03901e+05    2.82184e+05   -1.72005e+04   -2.15795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20350e+04   -1.73596e+06    3.45049e+05   -1.39091e+06    5.00334e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09668e+02   -2.12268e+02    8.20187e+01    3.67583e-06

           Step           Time
      243260000   486520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57565e+03    1.86426e+04    1.22197e+04    1.07186e+03   -2.76189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42341e+03    1.04853e+05    2.79669e+05   -1.71990e+04   -2.15422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22004e+04   -1.73353e+06    3.48016e+05   -1.38551e+06    5.00806e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12331e+02   -2.12230e+02   -6.79703e+01    3.68619e-06

           Step           Time
      243265000   486530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73733e+03    1.83494e+04    1.22894e+04    1.14040e+03   -2.82319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60043e+03    1.04046e+05    2.80980e+05   -1.72072e+04   -2.15513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21528e+04   -1.73386e+06    3.45510e+05   -1.38835e+06    5.01080e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10082e+02   -2.12432e+02    1.16308e+01    3.66356e-06

           Step           Time
      243270000   486540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51273e+03    1.83740e+04    1.22878e+04    1.04536e+03   -2.87577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63822e+03    1.04335e+05    2.79857e+05   -1.71344e+04   -2.15409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21379e+04   -1.73391e+06    3.47282e+05   -1.38663e+06    5.01165e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11673e+02   -2.10640e+02   -1.78072e+01    3.66635e-06

           Step           Time
      243275000   486550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64742e+03    1.87164e+04    1.23785e+04    1.13894e+03   -2.85152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41381e+03    1.03911e+05    2.82646e+05   -1.71805e+04   -2.15597e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20505e+04   -1.73310e+06    3.48462e+05   -1.38464e+06    5.01219e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12731e+02   -2.11776e+02    7.31978e+01    3.72551e-06

           Step           Time
      243280000   486560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59844e+03    1.81504e+04    1.23401e+04    1.08431e+03   -2.86061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58287e+03    1.04149e+05    2.79702e+05   -1.71790e+04   -2.15392e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19897e+04   -1.73436e+06    3.47015e+05   -1.38735e+06    5.01500e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11433e+02   -2.11738e+02   -2.72058e+01    3.87168e-06

           Step           Time
      243285000   486570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29428e+03    1.84055e+04    1.23139e+04    1.07689e+03   -2.83636e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43288e+03    1.04434e+05    2.81704e+05   -1.71593e+04   -2.15599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21536e+04   -1.73417e+06    3.45639e+05   -1.38853e+06    5.01971e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10198e+02   -2.11253e+02    2.11614e+01    3.70686e-06

           Step           Time
      243290000   486580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56808e+03    1.78657e+04    1.22049e+04    1.09516e+03   -2.83847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47292e+03    1.04446e+05    2.80255e+05   -1.71633e+04   -2.15506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20406e+04   -1.73511e+06    3.45666e+05   -1.38944e+06    5.01528e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10222e+02   -2.11351e+02   -4.78064e+01    3.66656e-06

           Step           Time
      243295000   486590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61527e+03    1.82606e+04    1.24381e+04    1.09914e+03   -2.93835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44165e+03    1.04148e+05    2.80496e+05   -1.72120e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19594e+04   -1.73544e+06    3.46243e+05   -1.38919e+06    5.02225e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10739e+02   -2.12551e+02   -2.74454e+01    3.63587e-06

           Step           Time
      243300000   486600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52849e+03    1.82023e+04    1.22693e+04    1.03704e+03   -2.83351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56440e+03    1.04499e+05    2.78684e+05   -1.71860e+04   -2.15374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17817e+04   -1.73519e+06    3.45555e+05   -1.38964e+06    5.02034e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10122e+02   -2.11910e+02   -6.37060e+01    3.69828e-06

           Step           Time
      243305000   486610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30929e+03    1.83437e+04    1.22458e+04    1.10691e+03   -2.80927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39959e+03    1.04716e+05    2.82379e+05   -1.71986e+04   -2.15907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19365e+04   -1.73664e+06    3.45680e+05   -1.39096e+06    5.02645e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10235e+02   -2.12222e+02    7.31426e+01    3.66223e-06

           Step           Time
      243310000   486620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57363e+03    1.81131e+04    1.23386e+04    1.05472e+03   -2.79303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45761e+03    1.04376e+05    2.81736e+05   -1.72145e+04   -2.15687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19214e+04   -1.73530e+06    3.46527e+05   -1.38878e+06    5.02884e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10994e+02   -2.12612e+02   -7.20356e+00    3.86542e-06

           Step           Time
      243315000   486630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74711e+03    1.80369e+04    1.22710e+04    1.08218e+03   -2.84063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45764e+03    1.04725e+05    2.80743e+05   -1.71903e+04   -2.15623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21859e+04   -1.73501e+06    3.46744e+05   -1.38827e+06    5.03046e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11189e+02   -2.12015e+02   -3.27787e+01    3.52275e-06

           Step           Time
      243320000   486640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51296e+03    1.81903e+04    1.23959e+04    1.08768e+03   -2.87481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52680e+03    1.04768e+05    2.83188e+05   -1.72153e+04   -2.15817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18419e+04   -1.73475e+06    3.48161e+05   -1.38659e+06    5.03200e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12461e+02   -2.12632e+02    1.71233e+02    3.72831e-06

           Step           Time
      243325000   486650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41880e+03    1.78536e+04    1.22684e+04    1.12611e+03   -2.81193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49531e+03    1.04789e+05    2.80396e+05   -1.72499e+04   -2.15773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18294e+04   -1.73762e+06    3.44730e+05   -1.39289e+06    5.03432e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09382e+02   -2.13486e+02   -5.83080e+01    3.69581e-06

           Step           Time
      243330000   486660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49206e+03    1.83489e+04    1.23186e+04    1.06634e+03   -2.76471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46277e+03    1.04548e+05    2.82061e+05   -1.71817e+04   -2.15840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19969e+04   -1.73605e+06    3.46908e+05   -1.38914e+06    5.03938e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11337e+02   -2.11805e+02   -7.71930e+00    3.76354e-06

           Step           Time
      243335000   486670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41035e+03    1.80083e+04    1.22627e+04    1.07521e+03   -2.91077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52417e+03    1.04631e+05    2.80276e+05   -1.72211e+04   -2.15487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19344e+04   -1.73488e+06    3.46034e+05   -1.38885e+06    5.04072e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10552e+02   -2.12777e+02    5.17473e+01    3.65107e-06

           Step           Time
      243340000   486680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63161e+03    1.83458e+04    1.24064e+04    1.08811e+03   -2.83642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47878e+03    1.04307e+05    2.80833e+05   -1.72313e+04   -2.15662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20082e+04   -1.73559e+06    3.46570e+05   -1.38902e+06    5.04480e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11033e+02   -2.13027e+02    3.85703e+01    3.68242e-06

           Step           Time
      243345000   486690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35846e+03    1.82589e+04    1.22404e+04    1.14407e+03   -2.81968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51106e+03    1.04361e+05    2.82179e+05   -1.72021e+04   -2.15809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19434e+04   -1.73612e+06    3.46226e+05   -1.38989e+06    5.04411e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10725e+02   -2.12307e+02    2.26562e+01    3.66191e-06

           Step           Time
      243350000   486700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52432e+03    1.85185e+04    1.23413e+04    1.08776e+03   -2.76505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50137e+03    1.04736e+05    2.81458e+05   -1.71717e+04   -2.15525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22146e+04   -1.73280e+06    3.45659e+05   -1.38715e+06    5.05220e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10216e+02   -2.11559e+02    3.37222e+01    3.88292e-06

           Step           Time
      243355000   486710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49000e+03    1.83960e+04    1.24711e+04    1.08665e+03   -2.78709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56701e+03    1.04250e+05    2.78226e+05   -1.71354e+04   -2.15107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19821e+04   -1.73252e+06    3.46619e+05   -1.38591e+06    5.05352e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11077e+02   -2.10666e+02   -9.32999e+01    3.74446e-06

           Step           Time
      243360000   486720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33909e+03    1.83634e+04    1.22596e+04    1.08011e+03   -2.86371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37608e+03    1.04486e+05    2.81891e+05   -1.72197e+04   -2.15938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19552e+04   -1.73771e+06    3.44430e+05   -1.39328e+06    5.05785e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09112e+02   -2.12742e+02    2.99092e+01    3.68317e-06

           Step           Time
      243365000   486730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36161e+03    1.81205e+04    1.22825e+04    1.10478e+03   -2.73873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47032e+03    1.04340e+05    2.79769e+05   -1.71426e+04   -2.15592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18949e+04   -1.73645e+06    3.45387e+05   -1.39107e+06    5.05758e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09971e+02   -2.10843e+02   -1.00032e+02    3.82614e-06

           Step           Time
      243370000   486740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71061e+03    1.81927e+04    1.21385e+04    9.79886e+02   -2.62960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47832e+03    1.04144e+05    2.78410e+05   -1.71996e+04   -2.15351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19901e+04   -1.73529e+06    3.45908e+05   -1.38938e+06    5.06178e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10439e+02   -2.12247e+02   -1.64877e+02    3.69746e-06

           Step           Time
      243375000   486750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62228e+03    1.80836e+04    1.24143e+04    1.15196e+03   -2.80873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47194e+03    1.04637e+05    2.80453e+05   -1.72278e+04   -2.15623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19897e+04   -1.73545e+06    3.46746e+05   -1.38870e+06    5.06349e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11191e+02   -2.12942e+02   -8.99034e+00    3.66946e-06

           Step           Time
      243380000   486760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30254e+03    1.81350e+04    1.23863e+04    1.00459e+03   -2.83830e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50699e+03    1.04754e+05    2.81052e+05   -1.71908e+04   -2.15671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18440e+04   -1.73575e+06    3.46543e+05   -1.38921e+06    5.06715e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11009e+02   -2.12030e+02    3.97660e+01    3.81628e-06

           Step           Time
      243385000   486770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68292e+03    1.84546e+04    1.22199e+04    1.04232e+03   -2.84447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38035e+03    1.04341e+05    2.82393e+05   -1.71695e+04   -2.15570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19159e+04   -1.73329e+06    3.45623e+05   -1.38766e+06    5.07005e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10183e+02   -2.11504e+02    1.44224e+01    3.71866e-06

           Step           Time
      243390000   486780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65944e+03    1.85253e+04    1.22618e+04    1.02588e+03   -2.79478e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38971e+03    1.04323e+05    2.78490e+05   -1.71809e+04   -2.15348e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21350e+04   -1.73464e+06    3.47922e+05   -1.38672e+06    5.06555e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12247e+02   -2.11784e+02   -1.28470e+02    3.82356e-06

           Step           Time
      243395000   486790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46506e+03    1.82634e+04    1.21505e+04    1.05493e+03   -2.86106e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36572e+03    1.05226e+05    2.78331e+05   -1.71896e+04   -2.15488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19521e+04   -1.73612e+06    3.45237e+05   -1.39089e+06    5.07164e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09836e+02   -2.11999e+02   -1.74481e+02    3.77525e-06

           Step           Time
      243400000   486800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49033e+03    1.83446e+04    1.23741e+04    1.12727e+03   -2.88917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43248e+03    1.04722e+05    2.80551e+05   -1.71640e+04   -2.15505e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18667e+04   -1.73419e+06    3.48072e+05   -1.38612e+06    5.07168e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12381e+02   -2.11370e+02   -5.59144e+01    3.71534e-06

           Step           Time
      243405000   486810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34003e+03    1.81135e+04    1.24395e+04    1.05463e+03   -2.92548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49449e+03    1.05016e+05    2.81406e+05   -1.71689e+04   -2.15725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19537e+04   -1.73552e+06    3.45964e+05   -1.38956e+06    5.07806e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10489e+02   -2.11489e+02   -1.23815e+01    3.74817e-06

           Step           Time
      243410000   486820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41130e+03    1.80068e+04    1.22828e+04    1.04932e+03   -2.84615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61280e+03    1.04976e+05    2.79707e+05   -1.71826e+04   -2.15531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21465e+04   -1.73515e+06    3.47335e+05   -1.38781e+06    5.07741e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11720e+02   -2.11827e+02    6.20475e+01    3.57670e-06

           Step           Time
      243415000   486830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61365e+03    1.85100e+04    1.23416e+04    1.02250e+03   -2.82895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52209e+03    1.04848e+05    2.81064e+05   -1.71806e+04   -2.15587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19632e+04   -1.73399e+06    3.48751e+05   -1.38524e+06    5.08454e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12990e+02   -2.11777e+02    2.16545e+01    3.79750e-06

           Step           Time
      243420000   486840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38388e+03    1.82394e+04    1.21937e+04    1.00312e+03   -2.70796e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56619e+03    1.05074e+05    2.79245e+05   -1.71907e+04   -2.15434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18214e+04   -1.73472e+06    3.47295e+05   -1.38742e+06    5.08710e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11684e+02   -2.12026e+02   -3.36481e+01    3.70288e-06

           Step           Time
      243425000   486850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42568e+03    1.80069e+04    1.23146e+04    1.06709e+03   -2.85465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55941e+03    1.04704e+05    2.81618e+05   -1.71571e+04   -2.15696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20487e+04   -1.73523e+06    3.45380e+05   -1.38985e+06    5.09206e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09965e+02   -2.11198e+02    1.89129e+01    3.82486e-06

           Step           Time
      243430000   486860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64490e+03    1.82103e+04    1.23720e+04    1.05228e+03   -2.85002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36033e+03    1.04473e+05    2.82634e+05   -1.71837e+04   -2.15704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20227e+04   -1.73431e+06    3.46369e+05   -1.38794e+06    5.09588e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10852e+02   -2.11855e+02    5.34037e+01    3.80035e-06

           Step           Time
      243435000   486870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42780e+03    1.81356e+04    1.22835e+04    1.05686e+03   -2.85854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35035e+03    1.05157e+05    2.79824e+05   -1.72123e+04   -2.15628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20788e+04   -1.73604e+06    3.44237e+05   -1.39180e+06    5.10158e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08939e+02   -2.12560e+02   -3.59712e+01    3.68775e-06

           Step           Time
      243440000   486880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55040e+03    1.83255e+04    1.23796e+04    1.07879e+03   -2.92631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50199e+03    1.04853e+05    2.78826e+05   -1.72106e+04   -2.15349e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21554e+04   -1.73395e+06    3.47581e+05   -1.38637e+06    5.10314e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11941e+02   -2.12515e+02   -5.80349e+00    3.85762e-06

           Step           Time
      243445000   486890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73172e+03    1.80404e+04    1.23606e+04    1.03013e+03   -2.81150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42283e+03    1.05069e+05    2.79796e+05   -1.72055e+04   -2.15624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19388e+04   -1.73586e+06    3.46382e+05   -1.38948e+06    5.10492e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10864e+02   -2.12392e+02   -1.53390e+01    3.81888e-06

           Step           Time
      243450000   486900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38016e+03    1.80708e+04    1.21439e+04    1.01505e+03   -2.77551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60551e+03    1.05170e+05    2.80865e+05   -1.71922e+04   -2.15526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20342e+04   -1.73394e+06    3.45149e+05   -1.38879e+06    5.10789e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09758e+02   -2.12062e+02    8.99109e+01    3.89582e-06

           Step           Time
      243455000   486910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68530e+03    1.83516e+04    1.22905e+04    1.12039e+03   -2.87671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42456e+03    1.04775e+05    2.81570e+05   -1.72031e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20089e+04   -1.73509e+06    3.46776e+05   -1.38832e+06    5.11516e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11218e+02   -2.12331e+02    1.93322e+01    3.74533e-06

           Step           Time
      243460000   486920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68306e+03    1.83592e+04    1.21473e+04    1.08922e+03   -2.77121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52344e+03    1.05125e+05    2.79488e+05   -1.71633e+04   -2.15512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20594e+04   -1.73458e+06    3.46203e+05   -1.38838e+06    5.11705e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10703e+02   -2.11351e+02   -8.79133e+01    3.73529e-06

           Step           Time
      243465000   486930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71180e+03    1.82677e+04    1.22410e+04    1.09279e+03   -2.89019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44812e+03    1.05253e+05    2.79324e+05   -1.72082e+04   -2.15540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20540e+04   -1.73510e+06    3.46619e+05   -1.38849e+06    5.11894e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11077e+02   -2.12458e+02   -3.99131e+01    3.70372e-06

           Step           Time
      243470000   486940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55909e+03    1.83075e+04    1.20713e+04    1.03452e+03   -2.80835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58772e+03    1.04960e+05    2.80870e+05   -1.72152e+04   -2.15808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18431e+04   -1.73687e+06    3.45976e+05   -1.39089e+06    5.12240e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10500e+02   -2.12630e+02    5.13168e+01    3.68155e-06

           Step           Time
      243475000   486950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39537e+03    1.82813e+04    1.24057e+04    1.08611e+03   -2.84247e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45714e+03    1.04954e+05    2.82269e+05   -1.72203e+04   -2.15828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19222e+04   -1.73557e+06    3.45562e+05   -1.39001e+06    5.12206e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10128e+02   -2.12755e+02    9.55823e+01    3.67305e-06

           Step           Time
      243480000   486960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64780e+03    1.82416e+04    1.23973e+04    1.04608e+03   -2.88223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44990e+03    1.04455e+05    2.80788e+05   -1.72114e+04   -2.15652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19548e+04   -1.73564e+06    3.44884e+05   -1.39075e+06    5.12265e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09520e+02   -2.12537e+02    6.27092e+00    3.72430e-06

           Step           Time
      243485000   486970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62105e+03    1.78726e+04    1.22462e+04    1.13466e+03   -2.71491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36492e+03    1.04972e+05    2.81145e+05   -1.71967e+04   -2.15546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21182e+04   -1.73390e+06    3.44315e+05   -1.38958e+06    5.12820e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09009e+02   -2.12173e+02    2.23221e+01    3.54161e-06

           Step           Time
      243490000   486980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39727e+03    1.83827e+04    1.22943e+04    1.01520e+03   -2.84609e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51479e+03    1.04748e+05    2.79110e+05   -1.72266e+04   -2.15383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17947e+04   -1.73464e+06    3.47121e+05   -1.38752e+06    5.12448e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11528e+02   -2.12911e+02   -1.03847e+01    3.64108e-06

           Step           Time
      243495000   486990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71961e+03    1.82285e+04    1.25762e+04    1.20861e+03   -2.87847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50381e+03    1.04786e+05    2.78480e+05   -1.71321e+04   -2.15045e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17902e+04   -1.73117e+06    3.46846e+05   -1.38432e+06    5.13082e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11280e+02   -2.10584e+02   -8.61924e+01    3.74652e-06

           Step           Time
      243500000   487000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47459e+03    1.84283e+04    1.22044e+04    1.04059e+03   -2.77252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52314e+03    1.05226e+05    2.81108e+05   -1.72033e+04   -2.15807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19988e+04   -1.73604e+06    3.46692e+05   -1.38935e+06    5.13548e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11143e+02   -2.12338e+02    5.02064e+01    3.61506e-06

           Step           Time
      243505000   487010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63849e+03    1.82155e+04    1.22878e+04    1.16234e+03   -2.88766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.29866e+03    1.04482e+05    2.80038e+05   -1.71812e+04   -2.15521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18820e+04   -1.73527e+06    3.46123e+05   -1.38915e+06    5.13644e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10632e+02   -2.11793e+02   -9.67970e+01    3.62228e-06

           Step           Time
      243510000   487020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57765e+03    1.85759e+04    1.23802e+04    1.08065e+03   -2.82310e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48191e+03    1.04842e+05    2.80003e+05   -1.71596e+04   -2.15488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20963e+04   -1.73383e+06    3.47088e+05   -1.38674e+06    5.14210e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11498e+02   -2.11261e+02   -3.55755e+01    3.66451e-06

           Step           Time
      243515000   487030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64018e+03    1.79456e+04    1.24081e+04    1.01726e+03   -2.88476e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54265e+03    1.04621e+05    2.80877e+05   -1.71827e+04   -2.15414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19269e+04   -1.73323e+06    3.47089e+05   -1.38614e+06    5.14229e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11499e+02   -2.11828e+02    3.48648e+01    3.61912e-06

           Step           Time
      243520000   487040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43942e+03    1.80869e+04    1.21512e+04    1.04880e+03   -2.76731e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42921e+03    1.04810e+05    2.84423e+05   -1.72417e+04   -2.16113e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20277e+04   -1.73672e+06    3.46331e+05   -1.39039e+06    5.14885e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10819e+02   -2.13284e+02    1.47919e+02    3.60855e-06

           Step           Time
      243525000   487050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60100e+03    1.84072e+04    1.22626e+04    1.05436e+03   -2.85815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54265e+03    1.04911e+05    2.83376e+05   -1.72029e+04   -2.15890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19171e+04   -1.73489e+06    3.46999e+05   -1.38789e+06    5.15338e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11418e+02   -2.12327e+02    1.47999e+02    3.62582e-06

           Step           Time
      243530000   487060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61726e+03    1.81834e+04    1.22106e+04    1.17115e+03   -2.92751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49937e+03    1.04497e+05    2.81602e+05   -1.72097e+04   -2.15537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21434e+04   -1.73358e+06    3.46592e+05   -1.38699e+06    5.15668e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11053e+02   -2.12494e+02    4.70395e+01    3.67698e-06

           Step           Time
      243535000   487070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49980e+03    1.83200e+04    1.23390e+04    1.14221e+03   -2.77609e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58701e+03    1.04273e+05    2.79434e+05   -1.71721e+04   -2.15242e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19401e+04   -1.73283e+06    3.45684e+05   -1.38715e+06    5.16189e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10238e+02   -2.11568e+02   -8.98103e-01    3.58774e-06

           Step           Time
      243540000   487080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40415e+03    1.84121e+04    1.24214e+04    1.09121e+03   -2.74333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53180e+03    1.04684e+05    2.82470e+05   -1.72120e+04   -2.15782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20277e+04   -1.73473e+06    3.46280e+05   -1.38845e+06    5.16589e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10773e+02   -2.12552e+02    1.16545e+02    3.70319e-06

           Step           Time
      243545000   487090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51803e+03    1.81063e+04    1.23145e+04    1.07879e+03   -2.87446e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46510e+03    1.04584e+05    2.83097e+05   -1.72192e+04   -2.15906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20960e+04   -1.73590e+06    3.45551e+05   -1.39035e+06    5.16638e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10118e+02   -2.12729e+02    7.05776e+01    3.64576e-06

           Step           Time
      243550000   487100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32764e+03    1.79421e+04    1.23956e+04    1.09640e+03   -2.85572e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67310e+03    1.04824e+05    2.80349e+05   -1.71620e+04   -2.15678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21017e+04   -1.73609e+06    3.46398e+05   -1.38969e+06    5.17032e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10878e+02   -2.11319e+02    5.55531e+01    3.65856e-06

           Step           Time
      243555000   487110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49418e+03    1.80214e+04    1.23474e+04    1.04787e+03   -2.80856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55553e+03    1.05216e+05    2.78619e+05   -1.72013e+04   -2.15404e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20144e+04   -1.73473e+06    3.45236e+05   -1.38950e+06    5.17532e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09836e+02   -2.12288e+02   -6.28923e+01    3.73072e-06

           Step           Time
      243560000   487120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52491e+03    1.79660e+04    1.22027e+04    1.03218e+03   -2.71643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48872e+03    1.04659e+05    2.79464e+05   -1.71949e+04   -2.15419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21085e+04   -1.73466e+06    3.47430e+05   -1.38723e+06    5.17284e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11804e+02   -2.12130e+02   -7.68632e-01    3.76004e-06

           Step           Time
      243565000   487130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40649e+03    1.79718e+04    1.23352e+04    1.14610e+03   -2.84153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53431e+03    1.04554e+05    2.81645e+05   -1.72052e+04   -2.15948e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19281e+04   -1.73800e+06    3.45004e+05   -1.39300e+06    5.18074e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09627e+02   -2.12384e+02    2.12114e+01    3.80985e-06

           Step           Time
      243570000   487140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59159e+03    1.78274e+04    1.23644e+04    1.05466e+03   -2.70619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55507e+03    1.05213e+05    2.80674e+05   -1.71890e+04   -2.15784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19794e+04   -1.73647e+06    3.45450e+05   -1.39102e+06    5.18578e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10028e+02   -2.11984e+02   -5.54778e+01    3.59913e-06

           Step           Time
      243575000   487150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49808e+03    1.82334e+04    1.22171e+04    1.09513e+03   -2.80232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47167e+03    1.04727e+05    2.81688e+05   -1.71352e+04   -2.15656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21159e+04   -1.73445e+06    3.44853e+05   -1.38960e+06    5.18790e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09493e+02   -2.10660e+02   -6.66507e+01    3.66534e-06

           Step           Time
      243580000   487160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58420e+03    1.79215e+04    1.22047e+04    1.05013e+03   -2.83550e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47477e+03    1.04729e+05    2.80578e+05   -1.72011e+04   -2.15683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19332e+04   -1.73639e+06    3.46882e+05   -1.38951e+06    5.18780e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11313e+02   -2.12283e+02   -2.15314e+01    3.59487e-06

           Step           Time
      243585000   487170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60431e+03    1.82931e+04    1.23223e+04    1.02117e+03   -2.81697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33420e+03    1.04176e+05    2.79468e+05   -1.72094e+04   -2.15555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20926e+04   -1.73627e+06    3.48111e+05   -1.38816e+06    5.18779e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12416e+02   -2.12488e+02   -4.47216e+01    3.88612e-06

           Step           Time
      243590000   487180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50718e+03    1.84593e+04    1.23530e+04    1.10127e+03   -2.82203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38798e+03    1.04358e+05    2.78040e+05   -1.71601e+04   -2.15251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21561e+04   -1.73413e+06    3.45000e+05   -1.38913e+06    5.19598e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09624e+02   -2.11272e+02   -1.08831e+02    3.82372e-06

           Step           Time
      243595000   487190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51431e+03    1.84708e+04    1.21281e+04    1.04094e+03   -2.73670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46096e+03    1.04955e+05    2.80016e+05   -1.72313e+04   -2.15733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19236e+04   -1.73679e+06    3.46859e+05   -1.38993e+06    5.19736e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11293e+02   -2.13027e+02    4.08075e+00    3.65031e-06

           Step           Time
      243600000   487200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40188e+03    1.81496e+04    1.23580e+04    1.06799e+03   -2.82781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48310e+03    1.04813e+05    2.83534e+05   -1.72263e+04   -2.16058e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19367e+04   -1.73689e+06    3.46406e+05   -1.39048e+06    5.20084e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10886e+02   -2.12903e+02    1.21719e+02    3.75833e-06

           Step           Time
      243605000   487210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59819e+03    1.83239e+04    1.24165e+04    1.07806e+03   -2.84738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58044e+03    1.05083e+05    2.78254e+05   -1.71889e+04   -2.15250e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19740e+04   -1.73323e+06    3.46898e+05   -1.38633e+06    5.20425e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11328e+02   -2.11982e+02   -1.10376e+02    3.67977e-06

           Step           Time
      243610000   487220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58473e+03    1.79532e+04    1.21423e+04    1.07722e+03   -2.75175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49367e+03    1.04938e+05    2.80187e+05   -1.72143e+04   -2.15501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19474e+04   -1.73465e+06    3.44388e+05   -1.39026e+06    5.20870e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09075e+02   -2.12609e+02   -2.74962e+01    3.71894e-06

           Step           Time
      243615000   487230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46745e+03    1.80790e+04    1.24615e+04    1.07411e+03   -2.74361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52695e+03    1.04791e+05    2.82066e+05   -1.72015e+04   -2.15931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19118e+04   -1.73688e+06    3.45828e+05   -1.39105e+06    5.21100e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10367e+02   -2.12292e+02    7.54549e+01    3.79454e-06

           Step           Time
      243620000   487240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33270e+03    1.84258e+04    1.23765e+04    1.06117e+03   -2.84007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41855e+03    1.04892e+05    2.81565e+05   -1.72252e+04   -2.15745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19782e+04   -1.73546e+06    3.45979e+05   -1.38949e+06    5.20908e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10502e+02   -2.12876e+02    8.16640e+01    3.72253e-06

           Step           Time
      243625000   487250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96415e+03    1.79719e+04    1.24144e+04    1.13877e+03   -2.90017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39818e+03    1.04370e+05    2.79427e+05   -1.72230e+04   -2.15381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20599e+04   -1.73419e+06    3.47137e+05   -1.38705e+06    5.21362e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11542e+02   -2.12824e+02   -6.75428e+01    3.65717e-06

           Step           Time
      243630000   487260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43333e+03    1.77912e+04    1.23323e+04    1.05720e+03   -2.84811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60618e+03    1.04797e+05    2.79099e+05   -1.71727e+04   -2.15442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20341e+04   -1.73529e+06    3.47141e+05   -1.38815e+06    5.21515e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11545e+02   -2.11582e+02   -5.32390e+01    3.62548e-06

           Step           Time
      243635000   487270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69012e+03    1.80940e+04    1.22790e+04    1.09908e+03   -2.79508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36903e+03    1.04897e+05    2.79807e+05   -1.71829e+04   -2.15395e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19624e+04   -1.73373e+06    3.47084e+05   -1.38665e+06    5.21931e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11495e+02   -2.11834e+02   -9.18971e+01    3.69653e-06

           Step           Time
      243640000   487280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62236e+03    1.85512e+04    1.22574e+04    1.13960e+03   -2.82663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47362e+03    1.04157e+05    2.81076e+05   -1.71489e+04   -2.15479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19158e+04   -1.73357e+06    3.48215e+05   -1.38536e+06    5.21926e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12510e+02   -2.10998e+02    1.82608e+01    3.72691e-06

           Step           Time
      243645000   487290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61678e+03    1.83212e+04    1.22088e+04    1.00643e+03   -2.80683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40783e+03    1.04610e+05    2.81743e+05   -1.71757e+04   -2.15655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21466e+04   -1.73447e+06    3.45352e+05   -1.38912e+06    5.22298e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09940e+02   -2.11657e+02   -3.65092e+00    3.55337e-06

           Step           Time
      243650000   487300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58123e+03    1.82278e+04    1.23705e+04    1.02529e+03   -2.96849e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40580e+03    1.04495e+05    2.79879e+05   -1.71595e+04   -2.15502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19243e+04   -1.73524e+06    3.44123e+05   -1.39112e+06    5.22832e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08837e+02   -2.11257e+02   -9.61435e+01    3.58232e-06

           Step           Time
      243655000   487310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41113e+03    1.80252e+04    1.25535e+04    1.16229e+03   -2.85525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52233e+03    1.04805e+05    2.82009e+05   -1.71639e+04   -2.15762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20954e+04   -1.73505e+06    3.48686e+05   -1.38637e+06    5.22611e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12932e+02   -2.11366e+02    5.91702e+01    3.67712e-06

           Step           Time
      243660000   487320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29716e+03    1.81216e+04    1.24322e+04    1.04968e+03   -2.90676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50081e+03    1.04870e+05    2.80133e+05   -1.71782e+04   -2.15451e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20051e+04   -1.73419e+06    3.46579e+05   -1.38761e+06    5.23304e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11041e+02   -2.11718e+02   -2.42194e+01    3.65676e-06

           Step           Time
      243665000   487330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56029e+03    1.78877e+04    1.22862e+04    1.05683e+03   -2.96647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46922e+03    1.04783e+05    2.82327e+05   -1.71977e+04   -2.15967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21233e+04   -1.73734e+06    3.48038e+05   -1.38930e+06    5.23348e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12350e+02   -2.12198e+02    1.89032e+01    3.67185e-06

           Step           Time
      243670000   487340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58110e+03    1.83617e+04    1.22319e+04    1.09410e+03   -2.83719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49679e+03    1.04743e+05    2.78541e+05   -1.71786e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18944e+04   -1.73628e+06    3.47035e+05   -1.38924e+06    5.23866e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11451e+02   -2.11729e+02   -5.50291e+01    3.63258e-06

           Step           Time
      243675000   487350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55139e+03    1.82405e+04    1.23568e+04    1.05051e+03   -2.84771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64406e+03    1.04923e+05    2.80197e+05   -1.72103e+04   -2.15570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20869e+04   -1.73471e+06    3.47177e+05   -1.38753e+06    5.24262e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11578e+02   -2.12509e+02    2.21160e+01    3.69203e-06

           Step           Time
      243680000   487360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53858e+03    1.82636e+04    1.22668e+04    1.13856e+03   -2.98302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52010e+03    1.05026e+05    2.83126e+05   -1.72077e+04   -2.16003e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18036e+04   -1.73654e+06    3.46838e+05   -1.38970e+06    5.24171e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11273e+02   -2.12445e+02    9.10703e+01    3.65654e-06

           Step           Time
      243685000   487370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35340e+03    1.78761e+04    1.22826e+04    1.06230e+03   -2.84404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51470e+03    1.04825e+05    2.80813e+05   -1.71935e+04   -2.15717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18837e+04   -1.73660e+06    3.45635e+05   -1.39096e+06    5.24334e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10194e+02   -2.12095e+02    1.91650e+01    3.46955e-06

           Step           Time
      243690000   487380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63183e+03    1.80101e+04    1.24596e+04    1.08387e+03   -2.91015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52748e+03    1.04017e+05    2.79790e+05   -1.71765e+04   -2.15441e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18507e+04   -1.73512e+06    3.45388e+05   -1.38973e+06    5.24602e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09973e+02   -2.11677e+02   -4.91511e+00    3.75357e-06

           Step           Time
      243695000   487390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58053e+03    1.79981e+04    1.24408e+04    1.10365e+03   -2.91582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44176e+03    1.04822e+05    2.83303e+05   -1.71987e+04   -2.15883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18274e+04   -1.73542e+06    3.45839e+05   -1.38958e+06    5.25359e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10377e+02   -2.12223e+02    8.35111e+01    3.71683e-06

           Step           Time
      243700000   487400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45790e+03    1.80491e+04    1.22373e+04    1.07853e+03   -2.84339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39446e+03    1.04797e+05    2.79623e+05   -1.71915e+04   -2.15589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18394e+04   -1.73644e+06    3.45828e+05   -1.39062e+06    5.24811e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10367e+02   -2.12046e+02   -1.42805e+02    3.74724e-06

           Step           Time
      243705000   487410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83374e+03    1.82372e+04    1.25254e+04    1.07445e+03   -2.88049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44728e+03    1.04613e+05    2.80294e+05   -1.71657e+04   -2.15408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19347e+04   -1.73317e+06    3.47503e+05   -1.38566e+06    5.25326e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11871e+02   -2.11410e+02   -4.66082e+01    3.72428e-06

           Step           Time
      243710000   487420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56306e+03    1.85722e+04    1.24030e+04    1.07280e+03   -2.92299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49743e+03    1.04027e+05    2.79103e+05   -1.71979e+04   -2.15275e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19596e+04   -1.73367e+06    3.46356e+05   -1.38731e+06    5.25790e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10841e+02   -2.12202e+02   -1.79734e+01    3.64312e-06

Writing checkpoint, step 243711600 at Sat Dec  2 02:38:07 2023


           Step           Time
      243715000   487430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64971e+03    1.85575e+04    1.22491e+04    1.05873e+03   -2.90567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45196e+03    1.04121e+05    2.78294e+05   -1.71806e+04   -2.15130e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19099e+04   -1.73309e+06    3.47494e+05   -1.38560e+06    5.26075e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11863e+02   -2.11777e+02   -1.24530e+02    3.68740e-06

           Step           Time
      243720000   487440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50742e+03    1.85276e+04    1.23679e+04    1.15437e+03   -2.79576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48389e+03    1.04202e+05    2.81639e+05   -1.71628e+04   -2.15399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20831e+04   -1.73199e+06    3.46985e+05   -1.38500e+06    5.26505e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11405e+02   -2.11340e+02    4.54827e+01    3.88448e-06

           Step           Time
      243725000   487450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62902e+03    1.82317e+04    1.24541e+04    1.06645e+03   -2.87745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39120e+03    1.04579e+05    2.82764e+05   -1.71761e+04   -2.15853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19477e+04   -1.73552e+06    3.46339e+05   -1.38918e+06    5.26604e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10826e+02   -2.11667e+02   -6.01676e+01    3.73081e-06

           Step           Time
      243730000   487460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70129e+03    1.82085e+04    1.21571e+04    1.16355e+03   -2.95026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57302e+03    1.04743e+05    2.78315e+05   -1.71557e+04   -2.15356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18378e+04   -1.73496e+06    3.44986e+05   -1.38998e+06    5.27175e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09612e+02   -2.11166e+02   -1.13590e+02    3.71847e-06

           Step           Time
      243735000   487470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32552e+03    1.83289e+04    1.22876e+04    1.08214e+03   -2.86708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49348e+03    1.04046e+05    2.81117e+05   -1.71753e+04   -2.15554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18352e+04   -1.73507e+06    3.45267e+05   -1.38980e+06    5.27262e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09864e+02   -2.11646e+02   -1.11780e+01    3.74689e-06

           Step           Time
      243740000   487480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74719e+03    1.80171e+04    1.22692e+04    1.11866e+03   -2.92000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45850e+03    1.04820e+05    2.82202e+05   -1.71687e+04   -2.15859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20167e+04   -1.73603e+06    3.47431e+05   -1.38860e+06    5.27649e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11806e+02   -2.11485e+02   -4.12707e+01    3.57809e-06

           Step           Time
      243745000   487490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44897e+03    1.84463e+04    1.21688e+04    9.77209e+02   -2.84171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75312e+03    1.04491e+05    2.79554e+05   -1.71772e+04   -2.15433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19147e+04   -1.73460e+06    3.48376e+05   -1.38622e+06    5.28104e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12654e+02   -2.11695e+02    2.43985e+01    3.62189e-06

           Step           Time
      243750000   487500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64671e+03    1.84685e+04    1.23307e+04    1.07270e+03   -2.81209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43135e+03    1.04394e+05    2.81763e+05   -1.72045e+04   -2.15623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20954e+04   -1.73404e+06    3.46429e+05   -1.38761e+06    5.28616e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10907e+02   -2.12367e+02    8.13557e+01    3.52918e-06

           Step           Time
      243755000   487510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50075e+03    1.81583e+04    1.24706e+04    1.07039e+03   -2.85863e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46584e+03    1.04697e+05    2.81538e+05   -1.71794e+04   -2.15664e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21172e+04   -1.73466e+06    3.48003e+05   -1.38666e+06    5.28385e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12319e+02   -2.11747e+02   -3.45546e+01    3.79063e-06

           Step           Time
      243760000   487520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63692e+03    1.82299e+04    1.23205e+04    1.05848e+03   -2.82798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47652e+03    1.04451e+05    2.80765e+05   -1.71816e+04   -2.15615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19283e+04   -1.73529e+06    3.45858e+05   -1.38943e+06    5.28915e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10394e+02   -2.11801e+02   -1.54180e+01    3.50183e-06

           Step           Time
      243765000   487530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45148e+03    1.79181e+04    1.23604e+04    1.08381e+03   -2.83432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56393e+03    1.04701e+05    2.80894e+05   -1.71830e+04   -2.15654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19577e+04   -1.73563e+06    3.45096e+05   -1.39053e+06    5.29505e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09710e+02   -2.11838e+02    3.14128e+01    3.81374e-06

           Step           Time
      243770000   487540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57672e+03    1.83030e+04    1.22034e+04    1.05093e+03   -2.84921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48815e+03    1.04205e+05    2.80008e+05   -1.71790e+04   -2.15297e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21750e+04   -1.73299e+06    3.45644e+05   -1.38734e+06    5.29661e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10202e+02   -2.11739e+02   -5.92170e+01    3.69108e-06

           Step           Time
      243775000   487550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51636e+03    1.80211e+04    1.23139e+04    1.01755e+03   -2.84890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48636e+03    1.04219e+05    2.80935e+05   -1.72268e+04   -2.15774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20967e+04   -1.73721e+06    3.45291e+05   -1.39192e+06    5.29874e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09886e+02   -2.12916e+02    1.37561e+01    3.62858e-06

           Step           Time
      243780000   487560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50385e+03    1.83063e+04    1.21177e+04    1.09833e+03   -2.80920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53969e+03    1.04410e+05    2.77862e+05   -1.71504e+04   -2.15023e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21708e+04   -1.73218e+06    3.46249e+05   -1.38593e+06    5.30406e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10745e+02   -2.11035e+02   -6.54158e+01    3.77546e-06

           Step           Time
      243785000   487570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47663e+03    1.84236e+04    1.24384e+04    1.11955e+03   -2.91017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58362e+03    1.04028e+05    2.80098e+05   -1.71915e+04   -2.15487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19528e+04   -1.73485e+06    3.44845e+05   -1.39001e+06    5.30704e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09485e+02   -2.12045e+02   -2.58525e+00    3.58039e-06

           Step           Time
      243790000   487580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74069e+03    1.79965e+04    1.24475e+04    1.13485e+03   -2.86102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47414e+03    1.04225e+05    2.82675e+05   -1.71722e+04   -2.15797e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20826e+04   -1.73522e+06    3.45467e+05   -1.38976e+06    5.31206e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10043e+02   -2.11570e+02   -6.47716e+00    3.66040e-06

           Step           Time
      243795000   487590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66977e+03    1.80201e+04    1.23545e+04    1.11502e+03   -2.82788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56568e+03    1.04229e+05    2.79546e+05   -1.71946e+04   -2.15342e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19359e+04   -1.73400e+06    3.46113e+05   -1.38789e+06    5.31430e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10623e+02   -2.12123e+02   -6.45854e+01    3.61421e-06

           Step           Time
      243800000   487600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57418e+03    1.79801e+04    1.23498e+04    1.18649e+03   -2.89523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52642e+03    1.04618e+05    2.78135e+05   -1.71929e+04   -2.15038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21013e+04   -1.73199e+06    3.46247e+05   -1.38574e+06    5.31384e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10743e+02   -2.12079e+02   -4.56684e+01    3.72270e-06

           Step           Time
      243805000   487610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44480e+03    1.81531e+04    1.22292e+04    1.11129e+03   -2.84491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47250e+03    1.04197e+05    2.79735e+05   -1.71745e+04   -2.15501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21369e+04   -1.73555e+06    3.46852e+05   -1.38869e+06    5.31584e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11286e+02   -2.11628e+02   -9.51174e+01    3.65375e-06

           Step           Time
      243810000   487620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61265e+03    1.85776e+04    1.22546e+04    1.11480e+03   -2.79328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49846e+03    1.04396e+05    2.79702e+05   -1.72070e+04   -2.15555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20726e+04   -1.73532e+06    3.44486e+05   -1.39084e+06    5.32691e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09163e+02   -2.12427e+02   -3.61756e+01    3.50991e-06

           Step           Time
      243815000   487630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52141e+03    1.80886e+04    1.23782e+04    1.08307e+03   -2.85643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41447e+03    1.04316e+05    2.81001e+05   -1.71990e+04   -2.15331e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20781e+04   -1.73248e+06    3.45483e+05   -1.38700e+06    5.32504e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10058e+02   -2.12232e+02    3.61958e+01    3.61071e-06

           Step           Time
      243820000   487640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73967e+03    1.84163e+04    1.23974e+04    1.09245e+03   -2.83630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47332e+03    1.03673e+05    2.81342e+05   -1.72086e+04   -2.15522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20912e+04   -1.73404e+06    3.46732e+05   -1.38731e+06    5.32962e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11178e+02   -2.12467e+02    4.99917e+01    3.62166e-06

           Step           Time
      243825000   487650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46076e+03    1.82309e+04    1.23625e+04    1.11579e+03   -2.85378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46795e+03    1.04484e+05    2.80411e+05   -1.72233e+04   -2.15592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19790e+04   -1.73548e+06    3.44508e+05   -1.39098e+06    5.33128e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09182e+02   -2.12829e+02    4.02924e+01    3.73197e-06

           Step           Time
      243830000   487660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53749e+03    1.78322e+04    1.23129e+04    1.03722e+03   -2.94113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49878e+03    1.04359e+05    2.80699e+05   -1.71810e+04   -2.15799e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19347e+04   -1.73790e+06    3.45330e+05   -1.39257e+06    5.33124e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09921e+02   -2.11786e+02   -9.44090e+01    3.75026e-06

           Step           Time
      243835000   487670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64091e+03    1.80308e+04    1.23952e+04    1.06389e+03   -2.90137e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44963e+03    1.04186e+05    2.80247e+05   -1.72088e+04   -2.15472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20082e+04   -1.73481e+06    3.45309e+05   -1.38950e+06    5.33604e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09901e+02   -2.12472e+02   -3.19676e+01    3.58389e-06

           Step           Time
      243840000   487680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38929e+03    1.84762e+04    1.23166e+04    1.04528e+03   -2.77163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52451e+03    1.04638e+05    2.80936e+05   -1.71713e+04   -2.15606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19173e+04   -1.73476e+06    3.46055e+05   -1.38870e+06    5.34076e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10571e+02   -2.11548e+02   -9.63797e+00    3.63095e-06

           Step           Time
      243845000   487690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42995e+03    1.83674e+04    1.23180e+04    1.07701e+03   -2.78315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62392e+03    1.04259e+05    2.79244e+05   -1.71919e+04   -2.15338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19578e+04   -1.73408e+06    3.47267e+05   -1.38681e+06    5.34136e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11659e+02   -2.12055e+02    4.30790e+01    3.55638e-06

           Step           Time
      243850000   487700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37105e+03    1.83392e+04    1.24974e+04    1.12348e+03   -2.79457e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45613e+03    1.04552e+05    2.80119e+05   -1.71654e+04   -2.15620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19533e+04   -1.73575e+06    3.47196e+05   -1.38855e+06    5.34058e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11595e+02   -2.11403e+02   -6.76160e+01    3.71585e-06

           Step           Time
      243855000   487710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54956e+03    1.84010e+04    1.24135e+04    1.12935e+03   -2.74959e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45021e+03    1.04271e+05    2.79348e+05   -1.71660e+04   -2.15329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18960e+04   -1.73374e+06    3.47869e+05   -1.38587e+06    5.34766e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12199e+02   -2.11419e+02   -6.43455e+01    3.72903e-06

           Step           Time
      243860000   487720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54936e+03    1.82686e+04    1.22212e+04    1.10672e+03   -2.80627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54690e+03    1.04303e+05    2.79609e+05   -1.72231e+04   -2.15548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19890e+04   -1.73592e+06    3.46812e+05   -1.38911e+06    5.34885e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11250e+02   -2.12825e+02   -4.37156e+01    3.66062e-06

           Step           Time
      243865000   487730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55653e+03    1.81525e+04    1.24075e+04    1.08537e+03   -2.78813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44644e+03    1.04592e+05    2.81335e+05   -1.72249e+04   -2.15691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20214e+04   -1.73533e+06    3.47356e+05   -1.38797e+06    5.35338e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11738e+02   -2.12870e+02    4.14053e+01    3.72336e-06

           Step           Time
      243870000   487740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60626e+03    1.87698e+04    1.23249e+04    1.03807e+03   -2.85993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48874e+03    1.04175e+05    2.79487e+05   -1.71516e+04   -2.15221e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22303e+04   -1.73210e+06    3.46922e+05   -1.38518e+06    5.35619e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11349e+02   -2.11063e+02   -2.26467e+01    3.67145e-06

           Step           Time
      243875000   487750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66333e+03    1.85846e+04    1.24749e+04    1.08864e+03   -2.90589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64296e+03    1.04500e+05    2.78531e+05   -1.71684e+04   -2.15081e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19251e+04   -1.73147e+06    3.48080e+05   -1.38339e+06    5.35968e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12389e+02   -2.11476e+02    9.14197e+00    3.75506e-06

           Step           Time
      243880000   487760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43600e+03    1.83058e+04    1.23634e+04    1.08645e+03   -2.91325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55884e+03    1.04268e+05    2.81821e+05   -1.72212e+04   -2.15854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20120e+04   -1.73682e+06    3.48103e+05   -1.38872e+06    5.35926e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12409e+02   -2.12779e+02    4.92364e+00    3.64666e-06

           Step           Time
      243885000   487770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57832e+03    1.83732e+04    1.23753e+04    1.06385e+03   -2.97568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55269e+03    1.03920e+05    2.81410e+05   -1.72353e+04   -2.15586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19488e+04   -1.73485e+06    3.47085e+05   -1.38777e+06    5.36461e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11495e+02   -2.13125e+02    8.23330e+01    3.65818e-06

           Step           Time
      243890000   487780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54827e+03    1.81919e+04    1.24203e+04    1.11340e+03   -2.99339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52438e+03    1.03925e+05    2.82244e+05   -1.72129e+04   -2.15671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19596e+04   -1.73499e+06    3.45654e+05   -1.38933e+06    5.36681e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10211e+02   -2.12572e+02    3.99318e+01    3.74929e-06

           Step           Time
      243895000   487790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74496e+03    1.86114e+04    1.21640e+04    1.13514e+03   -2.87521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51714e+03    1.03875e+05    2.81190e+05   -1.71993e+04   -2.15491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21703e+04   -1.73358e+06    3.46873e+05   -1.38671e+06    5.37304e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11305e+02   -2.12238e+02    4.93327e+01    3.53908e-06

           Step           Time
      243900000   487800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44004e+03    1.82194e+04    1.23041e+04    1.12942e+03   -2.71944e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57023e+03    1.04503e+05    2.80136e+05   -1.71187e+04   -2.15462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19497e+04   -1.73421e+06    3.46359e+05   -1.38785e+06    5.37118e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10843e+02   -2.10255e+02   -1.76880e+01    3.74596e-06

           Step           Time
      243905000   487810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50434e+03    1.80819e+04    1.23429e+04    1.10390e+03   -2.77834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46864e+03    1.04136e+05    2.80599e+05   -1.71984e+04   -2.15708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19151e+04   -1.73691e+06    3.44604e+05   -1.39230e+06    5.37414e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09268e+02   -2.12216e+02   -1.01450e+02    3.51094e-06

           Step           Time
      243910000   487820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31473e+03    1.81084e+04    1.22694e+04    1.07896e+03   -2.72529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46503e+03    1.04385e+05    2.82437e+05   -1.72304e+04   -2.16047e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18420e+04   -1.73853e+06    3.45125e+05   -1.39340e+06    5.37565e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09736e+02   -2.13006e+02    6.64102e+01    3.60387e-06

           Step           Time
      243915000   487830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51510e+03    1.84190e+04    1.24202e+04    1.07247e+03   -2.89865e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53134e+03    1.04329e+05    2.80464e+05   -1.71493e+04   -2.15564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19561e+04   -1.73498e+06    3.46633e+05   -1.38834e+06    5.38166e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11089e+02   -2.11007e+02    1.22520e+00    3.67980e-06

           Step           Time
      243920000   487840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39825e+03    1.83134e+04    1.24012e+04    1.09412e+03   -2.84067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66418e+03    1.04656e+05    2.81520e+05   -1.72092e+04   -2.15678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20118e+04   -1.73477e+06    3.47482e+05   -1.38728e+06    5.38796e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11851e+02   -2.12481e+02    1.24253e+02    3.62598e-06

           Step           Time
      243925000   487850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44576e+03    1.81375e+04    1.22039e+04    1.05564e+03   -2.86411e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45794e+03    1.04710e+05    2.83320e+05   -1.72045e+04   -2.16077e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20187e+04   -1.73749e+06    3.44252e+05   -1.39324e+06    5.39362e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08953e+02   -2.12367e+02    1.17001e+02    3.60670e-06

           Step           Time
      243930000   487860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37228e+03    1.81387e+04    1.24152e+04    1.10998e+03   -2.80517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50070e+03    1.04876e+05    2.78760e+05   -1.71798e+04   -2.15100e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22213e+04   -1.73159e+06    3.46280e+05   -1.38531e+06    5.39148e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10773e+02   -2.11757e+02   -4.11882e+01    3.85753e-06

           Step           Time
      243935000   487870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61361e+03    1.81179e+04    1.22285e+04    1.07530e+03   -2.78277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39479e+03    1.04722e+05    2.82029e+05   -1.71728e+04   -2.15850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20688e+04   -1.73621e+06    3.46411e+05   -1.38979e+06    5.39554e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10890e+02   -2.11584e+02   -1.56701e+01    3.62960e-06

           Step           Time
      243940000   487880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53068e+03    1.85821e+04    1.23325e+04    1.09092e+03   -2.96967e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47556e+03    1.04229e+05    2.78980e+05   -1.71457e+04   -2.15285e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20524e+04   -1.73370e+06    3.46741e+05   -1.38695e+06    5.39522e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11187e+02   -2.10919e+02   -6.59856e+01    3.87638e-06

           Step           Time
      243945000   487890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53400e+03    1.84159e+04    1.23968e+04    1.16525e+03   -2.93241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48092e+03    1.03646e+05    2.82436e+05   -1.71949e+04   -2.15747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18514e+04   -1.73567e+06    3.48222e+05   -1.38745e+06    5.39945e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12515e+02   -2.12129e+02    7.96756e+01    3.71725e-06

           Step           Time
      243950000   487900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54097e+03    1.81543e+04    1.22719e+04    1.05701e+03   -2.85228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42500e+03    1.03923e+05    2.82632e+05   -1.71928e+04   -2.15997e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21486e+04   -1.73786e+06    3.46895e+05   -1.39097e+06    5.40104e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11325e+02   -2.12078e+02    5.62045e+01    3.77023e-06

           Step           Time
      243955000   487910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71162e+03    1.80860e+04    1.24300e+04    1.15654e+03   -2.91644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51289e+03    1.04153e+05    2.81737e+05   -1.72333e+04   -2.15784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17877e+04   -1.73641e+06    3.47569e+05   -1.38884e+06    5.40358e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11930e+02   -2.13078e+02    7.10210e+00    3.68238e-06

           Step           Time
      243960000   487920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39433e+03    1.84447e+04    1.24838e+04    1.07035e+03   -2.79454e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56171e+03    1.04300e+05    2.80308e+05   -1.71776e+04   -2.15421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22666e+04   -1.73335e+06    3.46686e+05   -1.38666e+06    5.40696e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11138e+02   -2.11702e+02   -3.83445e+01    3.83351e-06

           Step           Time
      243965000   487930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50333e+03    1.81934e+04    1.23352e+04    1.08102e+03   -2.81913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52372e+03    1.04515e+05    2.81420e+05   -1.72235e+04   -2.15586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19533e+04   -1.73438e+06    3.45347e+05   -1.38903e+06    5.41226e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09936e+02   -2.12836e+02    3.66823e+01    3.61908e-06

           Step           Time
      243970000   487940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33360e+03    1.85897e+04    1.22925e+04    1.03659e+03   -2.93426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54138e+03    1.04436e+05    2.82080e+05   -1.71939e+04   -2.15652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20054e+04   -1.73434e+06    3.46835e+05   -1.38750e+06    5.41345e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11271e+02   -2.12105e+02    6.69738e+01    3.81221e-06

           Step           Time
      243975000   487950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51606e+03    1.82099e+04    1.24866e+04    1.05207e+03   -2.92876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52196e+03    1.04522e+05    2.80857e+05   -1.71989e+04   -2.15504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20126e+04   -1.73399e+06    3.44768e+05   -1.38922e+06    5.41495e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09416e+02   -2.12227e+02    1.93798e+00    3.74279e-06

           Step           Time
      243980000   487960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55446e+03    1.80107e+04    1.24561e+04    1.12117e+03   -2.90726e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52210e+03    1.04195e+05    2.82059e+05   -1.71656e+04   -2.15792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20321e+04   -1.73604e+06    3.46743e+05   -1.38930e+06    5.41696e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11189e+02   -2.11407e+02    2.20960e+01    3.74055e-06

           Step           Time
      243985000   487970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57482e+03    1.84029e+04    1.23310e+04    1.10024e+03   -2.97511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47887e+03    1.04512e+05    2.80678e+05   -1.71573e+04   -2.15317e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20775e+04   -1.73215e+06    3.47655e+05   -1.38449e+06    5.41756e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12007e+02   -2.11204e+02   -1.13512e+01    3.69397e-06

           Step           Time
      243990000   487980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56228e+03    1.84274e+04    1.23069e+04    1.08746e+03   -2.81728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40925e+03    1.04272e+05    2.80429e+05   -1.71589e+04   -2.15562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18051e+04   -1.73529e+06    3.47885e+05   -1.38741e+06    5.42449e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12213e+02   -2.11243e+02   -1.09635e+02    3.88755e-06

           Step           Time
      243995000   487990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47773e+03    1.81528e+04    1.24640e+04    1.15407e+03   -2.93475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50945e+03    1.04510e+05    2.82504e+05   -1.71465e+04   -2.15518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20029e+04   -1.73249e+06    3.46752e+05   -1.38573e+06    5.42914e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11197e+02   -2.10939e+02    1.09446e+02    3.71816e-06

           Step           Time
      244000000   488000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45182e+03    1.83938e+04    1.25616e+04    1.07291e+03   -2.93332e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54592e+03    1.04057e+05    2.78116e+05   -1.72036e+04   -2.15338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19609e+04   -1.73536e+06    3.46535e+05   -1.38882e+06    5.43240e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11001e+02   -2.12344e+02   -8.23621e+01    3.74957e-06

           Step           Time
      244005000   488010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40897e+03    1.80894e+04    1.23241e+04    1.14382e+03   -2.88305e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50339e+03    1.04086e+05    2.81483e+05   -1.71958e+04   -2.15712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20879e+04   -1.73607e+06    3.46133e+05   -1.38994e+06    5.43444e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10641e+02   -2.12152e+02    6.89728e+01    3.70063e-06

           Step           Time
      244010000   488020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61045e+03    1.85285e+04    1.23442e+04    1.03735e+03   -2.92839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60186e+03    1.04612e+05    2.79590e+05   -1.71921e+04   -2.15239e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19569e+04   -1.73223e+06    3.47094e+05   -1.38513e+06    5.43762e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11504e+02   -2.12059e+02    1.09421e+00    3.63483e-06

           Step           Time
      244015000   488030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63532e+03    1.84796e+04    1.23280e+04    1.05361e+03   -2.78137e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47457e+03    1.03625e+05    2.81420e+05   -1.72070e+04   -2.15776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20960e+04   -1.73664e+06    3.47748e+05   -1.38889e+06    5.44178e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12090e+02   -2.12428e+02    2.17952e+01    3.75221e-06

           Step           Time
      244020000   488040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30854e+03    1.84755e+04    1.21398e+04    1.06844e+03   -2.92821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73056e+03    1.04624e+05    2.80699e+05   -1.71746e+04   -2.15717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20634e+04   -1.73616e+06    3.47600e+05   -1.38856e+06    5.44310e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11958e+02   -2.11630e+02    4.68009e+01    3.85626e-06

           Step           Time
      244025000   488050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56300e+03    1.80104e+04    1.24154e+04    1.15419e+03   -2.73874e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48769e+03    1.04294e+05    2.79118e+05   -1.71898e+04   -2.15295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20195e+04   -1.73382e+06    3.46695e+05   -1.38712e+06    5.44219e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11145e+02   -2.12005e+02   -2.74176e+01    3.60662e-06

           Step           Time
      244030000   488060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64302e+03    1.79204e+04    1.24389e+04    1.10278e+03   -2.83752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39305e+03    1.04593e+05    2.79577e+05   -1.71660e+04   -2.15419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20581e+04   -1.73447e+06    3.47607e+05   -1.38686e+06    5.44461e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11964e+02   -2.11419e+02   -8.23471e+01    3.65701e-06

           Step           Time
      244035000   488070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30891e+03    1.82764e+04    1.23767e+04    1.06688e+03   -2.86898e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56240e+03    1.04148e+05    2.79505e+05   -1.71941e+04   -2.15515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21065e+04   -1.73586e+06    3.46065e+05   -1.38979e+06    5.44391e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10580e+02   -2.12109e+02   -1.78385e+01    3.78147e-06

           Step           Time
      244040000   488080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.16229e+03    1.81979e+04    1.23361e+04    1.05910e+03   -2.92537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68829e+03    1.04444e+05    2.81477e+05   -1.72233e+04   -2.15733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20368e+04   -1.73608e+06    3.45669e+05   -1.39041e+06    5.44924e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10224e+02   -2.12830e+02    9.63986e+01    3.66732e-06

           Step           Time
      244045000   488090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68403e+03    1.83104e+04    1.24172e+04    1.11723e+03   -2.88754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48806e+03    1.03869e+05    2.79314e+05   -1.71784e+04   -2.15482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19145e+04   -1.73578e+06    3.45245e+05   -1.39053e+06    5.45386e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09844e+02   -2.11723e+02   -1.05964e+02    3.63393e-06

           Step           Time
      244050000   488100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35779e+03    1.82542e+04    1.23580e+04    1.14722e+03   -2.85475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41676e+03    1.03811e+05    2.82356e+05   -1.71926e+04   -2.15772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21232e+04   -1.73594e+06    3.47045e+05   -1.38890e+06    5.44919e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11459e+02   -2.12072e+02    3.69786e+01    3.84684e-06

           Step           Time
      244055000   488110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60515e+03    1.81275e+04    1.22937e+04    1.00603e+03   -2.91366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42833e+03    1.04182e+05    2.81498e+05   -1.72026e+04   -2.15603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20558e+04   -1.73495e+06    3.44146e+05   -1.39080e+06    5.45431e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08857e+02   -2.12320e+02    5.51277e+01    3.70479e-06

           Step           Time
      244060000   488120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58624e+03    1.83711e+04    1.24291e+04    1.08162e+03   -2.88750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63963e+03    1.04471e+05    2.80217e+05   -1.72121e+04   -2.15349e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21125e+04   -1.73268e+06    3.46002e+05   -1.38668e+06    5.45834e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10523e+02   -2.12553e+02    1.77577e+01    3.73771e-06

           Step           Time
      244065000   488130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71906e+03    1.78172e+04    1.23891e+04    1.06102e+03   -2.79546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43055e+03    1.03944e+05    2.79685e+05   -1.71961e+04   -2.15702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20949e+04   -1.73787e+06    3.46157e+05   -1.39171e+06    5.45732e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10663e+02   -2.12159e+02   -1.50601e+02    3.54733e-06

           Step           Time
      244070000   488140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53456e+03    1.83321e+04    1.22854e+04    1.05982e+03   -2.88340e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48162e+03    1.04027e+05    2.81197e+05   -1.72185e+04   -2.15590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20494e+04   -1.73504e+06    3.47571e+05   -1.38746e+06    5.46069e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11932e+02   -2.12710e+02    4.94242e+01    3.69303e-06

           Step           Time
      244075000   488150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77404e+03    1.83109e+04    1.22745e+04    1.07084e+03   -2.92453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40439e+03    1.04194e+05    2.80247e+05   -1.71968e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20163e+04   -1.73689e+06    3.46988e+05   -1.38990e+06    5.46731e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11409e+02   -2.12177e+02   -1.49414e+02    3.51092e-06

           Step           Time
      244080000   488160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46683e+03    1.79339e+04    1.23384e+04    1.11271e+03   -2.89111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53896e+03    1.04958e+05    2.77816e+05   -1.72038e+04   -2.15568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20389e+04   -1.73757e+06    3.46202e+05   -1.39137e+06    5.46706e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10703e+02   -2.12348e+02   -1.69432e+02    3.60583e-06

           Step           Time
      244085000   488170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30257e+03    1.77933e+04    1.22608e+04    1.07461e+03   -2.85184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60043e+03    1.04445e+05    2.81213e+05   -1.72302e+04   -2.15578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20381e+04   -1.73513e+06    3.45503e+05   -1.38963e+06    5.47192e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10075e+02   -2.13001e+02    6.40968e+01    3.62087e-06

           Step           Time
      244090000   488180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48436e+03    1.82093e+04    1.22569e+04    1.06136e+03   -2.87626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48491e+03    1.04248e+05    2.81101e+05   -1.71839e+04   -2.15538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19544e+04   -1.73464e+06    3.46066e+05   -1.38857e+06    5.47335e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10581e+02   -2.11857e+02    7.39792e-01    3.56582e-06

           Step           Time
      244095000   488190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31735e+03    1.81281e+04    1.23242e+04    1.10778e+03   -2.92074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52618e+03    1.04641e+05    2.79423e+05   -1.71816e+04   -2.15543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19230e+04   -1.73614e+06    3.46591e+05   -1.38955e+06    5.47269e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11052e+02   -2.11802e+02   -6.47338e+01    3.72542e-06

           Step           Time
      244100000   488200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66535e+03    1.80377e+04    1.26061e+04    1.04367e+03   -2.86599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42898e+03    1.04369e+05    2.81162e+05   -1.71773e+04   -2.15756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21814e+04   -1.73611e+06    3.46514e+05   -1.38960e+06    5.47742e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10982e+02   -2.11695e+02    2.37723e+01    3.77378e-06

           Step           Time
      244105000   488210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31149e+03    1.81341e+04    1.25654e+04    1.11085e+03   -2.87938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50913e+03    1.05045e+05    2.81558e+05   -1.72414e+04   -2.15675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20127e+04   -1.73462e+06    3.47245e+05   -1.38738e+06    5.48178e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11639e+02   -2.13276e+02    1.02622e+02    3.87069e-06

           Step           Time
      244110000   488220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52866e+03    1.84434e+04    1.23794e+04    1.04602e+03   -2.93130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37603e+03    1.05124e+05    2.80624e+05   -1.71826e+04   -2.15544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20751e+04   -1.73395e+06    3.46424e+05   -1.38753e+06    5.48771e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10902e+02   -2.11827e+02   -4.03651e+01    3.65281e-06

           Step           Time
      244115000   488230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86076e+03    1.83380e+04    1.23874e+04    1.10420e+03   -2.78010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38493e+03    1.03805e+05    2.84110e+05   -1.72269e+04   -2.16031e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20273e+04   -1.73630e+06    3.46466e+05   -1.38983e+06    5.49236e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10940e+02   -2.12919e+02    7.74000e+01    3.61462e-06

           Step           Time
      244120000   488240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37583e+03    1.81398e+04    1.24967e+04    1.03356e+03   -2.76350e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48905e+03    1.04490e+05    2.82530e+05   -1.71719e+04   -2.15741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19122e+04   -1.73488e+06    3.44542e+05   -1.39033e+06    5.49632e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09213e+02   -2.11564e+02    8.22794e+01    3.65069e-06

           Step           Time
      244125000   488250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48243e+03    1.82271e+04    1.23728e+04    1.07448e+03   -2.84142e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48129e+03    1.04399e+05    2.80604e+05   -1.71943e+04   -2.15647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21155e+04   -1.73575e+06    3.48629e+05   -1.38712e+06    5.49270e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12881e+02   -2.12115e+02   -4.56709e+01    3.63544e-06

           Step           Time
      244130000   488260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45219e+03    1.78131e+04    1.22804e+04    1.22021e+03   -2.73398e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49387e+03    1.04606e+05    2.80165e+05   -1.71807e+04   -2.15562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19946e+04   -1.73551e+06    3.45831e+05   -1.38968e+06    5.49542e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10370e+02   -2.11779e+02   -3.76351e+01    3.57553e-06

           Step           Time
      244135000   488270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61947e+03    1.79181e+04    1.22437e+04    1.06743e+03   -2.79304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49059e+03    1.04544e+05    2.82214e+05   -1.71856e+04   -2.15673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19908e+04   -1.73462e+06    3.45921e+05   -1.38870e+06    5.50162e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10451e+02   -2.11900e+02    1.03160e+01    3.49816e-06

           Step           Time
      244140000   488280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55000e+03    1.80665e+04    1.23644e+04    1.04365e+03   -2.71565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42036e+03    1.04248e+05    2.79385e+05   -1.71786e+04   -2.15354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20201e+04   -1.73434e+06    3.44441e+05   -1.38990e+06    5.50706e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09122e+02   -2.11727e+02   -1.03735e+02    3.69464e-06

           Step           Time
      244145000   488290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54793e+03    1.83507e+04    1.23136e+04    1.08740e+03   -2.81692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51995e+03    1.04526e+05    2.78772e+05   -1.72339e+04   -2.15385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19157e+04   -1.73487e+06    3.48110e+05   -1.38676e+06    5.50368e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12416e+02   -2.13092e+02   -1.47273e+01    3.49303e-06

           Step           Time
      244150000   488300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53197e+03    1.82652e+04    1.24242e+04    1.10027e+03   -2.77844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38431e+03    1.04348e+05    2.80033e+05   -1.72282e+04   -2.15497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18735e+04   -1.73501e+06    3.44921e+05   -1.39009e+06    5.50872e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09554e+02   -2.12952e+02   -8.67366e+01    3.57852e-06

           Step           Time
      244155000   488310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82484e+03    1.84712e+04    1.23709e+04    1.14077e+03   -2.90901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38048e+03    1.04235e+05    2.81942e+05   -1.71916e+04   -2.15817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20005e+04   -1.73590e+06    3.48209e+05   -1.38769e+06    5.51472e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12504e+02   -2.12048e+02    2.95444e+01    3.63603e-06

           Step           Time
      244160000   488320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59188e+03    1.81546e+04    1.25089e+04    1.13700e+03   -2.73280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42753e+03    1.04204e+05    2.84656e+05   -1.71741e+04   -2.15794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19155e+04   -1.73325e+06    3.45243e+05   -1.38801e+06    5.51261e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09842e+02   -2.11616e+02    1.34638e+02    3.63093e-06

           Step           Time
      244165000   488330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59634e+03    1.82945e+04    1.23546e+04    1.19643e+03   -2.90389e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53947e+03    1.04777e+05    2.81304e+05   -1.72267e+04   -2.15737e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21242e+04   -1.73531e+06    3.46348e+05   -1.38896e+06    5.51979e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10834e+02   -2.12915e+02    3.51085e+01    3.54051e-06

           Step           Time
      244170000   488340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51372e+03    1.82399e+04    1.24426e+04    1.04596e+03   -2.87111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44364e+03    1.04238e+05    2.84680e+05   -1.72152e+04   -2.16146e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19779e+04   -1.73696e+06    3.46786e+05   -1.39018e+06    5.52481e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11227e+02   -2.12629e+02    1.43228e+02    3.79243e-06

           Step           Time
      244175000   488350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34232e+03    1.82976e+04    1.23632e+04    1.09569e+03   -2.80181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49022e+03    1.04655e+05    2.81029e+05   -1.71817e+04   -2.15570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20050e+04   -1.73441e+06    3.45847e+05   -1.38856e+06    5.52459e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10384e+02   -2.11805e+02   -1.89097e+01    3.52322e-06

           Step           Time
      244180000   488360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63783e+03    1.82577e+04    1.23991e+04    1.14864e+03   -2.88095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36426e+03    1.04891e+05    2.81052e+05   -1.72265e+04   -2.15624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19486e+04   -1.73465e+06    3.45202e+05   -1.38945e+06    5.53162e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09805e+02   -2.12910e+02   -2.10273e+01    3.62146e-06

           Step           Time
      244185000   488370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27896e+03    1.80224e+04    1.23559e+04    1.04025e+03   -2.75617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57898e+03    1.04818e+05    2.82355e+05   -1.72035e+04   -2.15884e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20304e+04   -1.73632e+06    3.43955e+05   -1.39236e+06    5.53199e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08686e+02   -2.12341e+02    1.14190e+02    3.62948e-06

           Step           Time
      244190000   488380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25075e+03    1.83141e+04    1.24084e+04    1.10504e+03   -2.77022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47062e+03    1.04267e+05    2.82550e+05   -1.71854e+04   -2.15973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20721e+04   -1.73725e+06    3.45174e+05   -1.39208e+06    5.53208e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09781e+02   -2.11896e+02    5.59272e+01    3.49054e-06

           Step           Time
      244195000   488390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75227e+03    1.81678e+04    1.24262e+04    1.10565e+03   -2.87812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42016e+03    1.04433e+05    2.80337e+05   -1.71704e+04   -2.15492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21002e+04   -1.73423e+06    3.45028e+05   -1.38920e+06    5.53478e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09649e+02   -2.11526e+02   -8.24850e+01    3.63125e-06

           Step           Time
      244200000   488400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55619e+03    1.80000e+04    1.23639e+04    1.04845e+03   -2.78582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47846e+03    1.04695e+05    2.79364e+05   -1.72006e+04   -2.15550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18702e+04   -1.73611e+06    3.47353e+05   -1.38876e+06    5.53512e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11736e+02   -2.12271e+02   -2.93046e+01    3.77401e-06

           Step           Time
      244205000   488410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56057e+03    1.85854e+04    1.22093e+04    1.03634e+03   -2.80054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49010e+03    1.04362e+05    2.81971e+05   -1.72294e+04   -2.15506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19868e+04   -1.73289e+06    3.46568e+05   -1.38633e+06    5.53784e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11031e+02   -2.12980e+02    1.15145e+02    3.58359e-06

           Step           Time
      244210000   488420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62548e+03    1.83212e+04    1.23539e+04    1.01712e+03   -2.82295e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56781e+03    1.04415e+05    2.83536e+05   -1.71574e+04   -2.15842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20075e+04   -1.73456e+06    3.46984e+05   -1.38758e+06    5.54256e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11405e+02   -2.11208e+02    1.25794e+02    3.61113e-06

           Step           Time
      244215000   488430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49605e+03    1.82266e+04    1.23698e+04    1.06987e+03   -2.88589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49765e+03    1.04190e+05    2.79560e+05   -1.71450e+04   -2.15324e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20369e+04   -1.73382e+06    3.45677e+05   -1.38815e+06    5.54260e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10232e+02   -2.10903e+02   -3.76718e+01    3.77970e-06

           Step           Time
      244220000   488440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74371e+03    1.86488e+04    1.23795e+04    1.12232e+03   -2.85671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48248e+03    1.03768e+05    2.82186e+05   -1.71628e+04   -2.15627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21981e+04   -1.73376e+06    3.46018e+05   -1.38774e+06    5.55035e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10538e+02   -2.11340e+02   -1.82688e-01    3.57101e-06

           Step           Time
      244225000   488450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64880e+03    1.81544e+04    1.24782e+04    1.11676e+03   -2.91919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39097e+03    1.04354e+05    2.82438e+05   -1.71899e+04   -2.15592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19568e+04   -1.73349e+06    3.46570e+05   -1.38692e+06    5.54812e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11033e+02   -2.12006e+02    3.65034e+00    3.54622e-06

           Step           Time
      244230000   488460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52298e+03    1.81412e+04    1.24527e+04    1.02698e+03   -2.87405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50488e+03    1.04655e+05    2.81054e+05   -1.71805e+04   -2.15607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20854e+04   -1.73468e+06    3.45615e+05   -1.38907e+06    5.55098e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10176e+02   -2.11775e+02   -2.51778e+01    3.99762e-06

           Step           Time
      244235000   488470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61880e+03    1.83007e+04    1.22714e+04    1.05717e+03   -2.82181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37354e+03    1.04283e+05    2.80069e+05   -1.71819e+04   -2.15381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20037e+04   -1.73383e+06    3.46319e+05   -1.38751e+06    5.55332e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10808e+02   -2.11809e+02   -1.09566e+02    3.70400e-06

           Step           Time
      244240000   488480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36255e+03    1.84982e+04    1.23369e+04    1.07902e+03   -2.78325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35957e+03    1.04279e+05    2.80519e+05   -1.71971e+04   -2.15418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19364e+04   -1.73379e+06    3.48649e+05   -1.38514e+06    5.55345e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12899e+02   -2.12184e+02    2.32161e+01    3.86448e-06

           Step           Time
      244245000   488490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47214e+03    1.80794e+04    1.24350e+04    1.01851e+03   -2.77784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54721e+03    1.04474e+05    2.80387e+05   -1.71751e+04   -2.15498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20378e+04   -1.73448e+06    3.44702e+05   -1.38978e+06    5.55631e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09356e+02   -2.11641e+02   -1.09889e+01    3.61030e-06

           Step           Time
      244250000   488500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66826e+03    1.84586e+04    1.23518e+04    1.07845e+03   -2.85843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51565e+03    1.04006e+05    2.79908e+05   -1.71875e+04   -2.15414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21328e+04   -1.73406e+06    3.46627e+05   -1.38744e+06    5.56384e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11084e+02   -2.11947e+02   -1.96737e+01    3.56456e-06

           Step           Time
      244255000   488510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49053e+03    1.82551e+04    1.25608e+04    1.15181e+03   -2.89388e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44457e+03    1.04217e+05    2.81398e+05   -1.72015e+04   -2.15494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20247e+04   -1.73349e+06    3.45325e+05   -1.38817e+06    5.56916e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09916e+02   -2.12294e+02    9.26041e+00    3.79956e-06

           Step           Time
      244260000   488520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54084e+03    1.84052e+04    1.24175e+04    1.08733e+03   -2.82867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34881e+03    1.04182e+05    2.80826e+05   -1.71755e+04   -2.15318e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20780e+04   -1.73229e+06    3.44526e+05   -1.38777e+06    5.57271e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09199e+02   -2.11653e+02    1.33636e+01    3.35795e-06

           Step           Time
      244265000   488530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47376e+03    1.81574e+04    1.23293e+04    1.09753e+03   -2.92974e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46349e+03    1.04539e+05    2.82629e+05   -1.71970e+04   -2.15798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19335e+04   -1.73548e+06    3.46112e+05   -1.38937e+06    5.57361e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10622e+02   -2.12182e+02    4.60857e+01    3.72606e-06

           Step           Time
      244270000   488540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43298e+03    1.78614e+04    1.23519e+04    1.10945e+03   -2.97579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52008e+03    1.04676e+05    2.80729e+05   -1.71745e+04   -2.15698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20428e+04   -1.73641e+06    3.46948e+05   -1.38946e+06    5.57380e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11372e+02   -2.11628e+02   -1.96237e+01    3.91320e-06

           Step           Time
      244275000   488550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52729e+03    1.83470e+04    1.23741e+04    1.10503e+03   -2.81001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48995e+03    1.04389e+05    2.81836e+05   -1.71646e+04   -2.15472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21537e+04   -1.73247e+06    3.46119e+05   -1.38635e+06    5.57964e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10628e+02   -2.11384e+02    9.94379e+01    3.66150e-06

           Step           Time
      244280000   488560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62298e+03    1.83268e+04    1.23578e+04    1.07853e+03   -2.92234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51147e+03    1.03985e+05    2.82514e+05   -1.72038e+04   -2.15902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19011e+04   -1.73685e+06    3.46139e+05   -1.39071e+06    5.58439e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10646e+02   -2.12348e+02    3.29642e+01    3.80435e-06

           Step           Time
      244285000   488570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68556e+03    1.79208e+04    1.23680e+04    1.15638e+03   -2.92424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33949e+03    1.04301e+05    2.80426e+05   -1.71636e+04   -2.15732e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18916e+04   -1.73731e+06    3.46456e+05   -1.39086e+06    5.58310e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.11360e+02   -1.19023e+02    3.63249e-06

           Step           Time
      244290000   488580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63832e+03    1.83921e+04    1.22840e+04    1.10898e+03   -2.78573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52060e+03    1.04160e+05    2.75936e+05   -1.71608e+04   -2.14939e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20931e+04   -1.73321e+06    3.48337e+05   -1.38487e+06    5.58645e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12619e+02   -2.11289e+02   -2.30230e+02    3.50658e-06

           Step           Time
      244295000   488590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73906e+03    1.80372e+04    1.21532e+04    1.05221e+03   -2.79246e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44127e+03    1.04468e+05    2.80322e+05   -1.71973e+04   -2.15250e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18067e+04   -1.73247e+06    3.46062e+05   -1.38641e+06    5.58971e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10577e+02   -2.12189e+02    4.60302e+01    3.59146e-06

           Step           Time
      244300000   488600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84454e+03    1.82233e+04    1.22913e+04    9.88091e+02   -2.73451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33133e+03    1.04144e+05    2.79321e+05   -1.71574e+04   -2.15572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20673e+04   -1.73640e+06    3.44414e+05   -1.39199e+06    5.59669e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09098e+02   -2.11206e+02   -2.03490e+02    3.49146e-06

           Step           Time
      244305000   488610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.19190e+03    1.79783e+04    1.23987e+04    1.06549e+03   -2.92714e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59881e+03    1.04421e+05    2.80868e+05   -1.71908e+04   -2.15616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20155e+04   -1.73574e+06    3.47730e+05   -1.38801e+06    5.58829e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12074e+02   -2.12030e+02    4.29865e+01    3.65431e-06

           Step           Time
      244310000   488620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44188e+03    1.81428e+04    1.24277e+04    1.07379e+03   -2.81180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38524e+03    1.04355e+05    2.81885e+05   -1.71980e+04   -2.15798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21270e+04   -1.73615e+06    3.45456e+05   -1.39069e+06    5.59811e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10033e+02   -2.12206e+02    4.08389e+01    3.71563e-06

           Step           Time
      244315000   488630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63016e+03    1.81319e+04    1.23372e+04    1.07187e+03   -2.86646e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50306e+03    1.04378e+05    2.80404e+05   -1.71376e+04   -2.15281e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19423e+04   -1.73241e+06    3.44676e+05   -1.38774e+06    5.60299e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09333e+02   -2.10721e+02   -3.55087e+01    3.61928e-06

           Step           Time
      244320000   488640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55470e+03    1.85503e+04    1.23102e+04    1.07295e+03   -2.68458e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56511e+03    1.04371e+05    2.82721e+05   -1.72368e+04   -2.15732e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19073e+04   -1.73419e+06    3.47418e+05   -1.38677e+06    5.60589e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11794e+02   -2.13165e+02    1.46484e+02    3.58763e-06

           Step           Time
      244325000   488650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62720e+03    1.80871e+04    1.24738e+04    1.13087e+03   -2.80109e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37763e+03    1.04455e+05    2.79092e+05   -1.71717e+04   -2.15294e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20363e+04   -1.73363e+06    3.47922e+05   -1.38571e+06    5.60284e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12246e+02   -2.11558e+02   -1.04469e+02    3.61799e-06

           Step           Time
      244330000   488660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44060e+03    1.84061e+04    1.22243e+04    1.08829e+03   -2.78859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32784e+03    1.04087e+05    2.80306e+05   -1.72175e+04   -2.15565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20686e+04   -1.73570e+06    3.47126e+05   -1.38858e+06    5.60592e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11532e+02   -2.12687e+02   -3.60061e+01    3.78552e-06

           Step           Time
      244335000   488670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29182e+03    1.75291e+04    1.24062e+04    9.29188e+02   -2.86481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46543e+03    1.04842e+05    2.81574e+05   -1.72116e+04   -2.15901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18727e+04   -1.73817e+06    3.42747e+05   -1.39543e+06    5.61211e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07602e+02   -2.12542e+02   -4.04809e+01    3.48226e-06

           Step           Time
      244340000   488680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50328e+03    1.81189e+04    1.25935e+04    1.07634e+03   -2.90346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48726e+03    1.04372e+05    2.79533e+05   -1.71932e+04   -2.15541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20110e+04   -1.73581e+06    3.47144e+05   -1.38867e+06    5.61225e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11548e+02   -2.12089e+02   -7.78633e+01    3.62196e-06

           Step           Time
      244345000   488690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39646e+03    1.82610e+04    1.24133e+04    1.10539e+03   -2.97789e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46604e+03    1.04377e+05    2.79263e+05   -1.72288e+04   -2.15546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20015e+04   -1.73639e+06    3.45681e+05   -1.39070e+06    5.61594e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10235e+02   -2.12966e+02   -6.00802e+01    3.54172e-06

           Step           Time
      244350000   488700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39057e+03    1.77427e+04    1.24038e+04    1.10937e+03   -2.75511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54441e+03    1.04567e+05    2.79688e+05   -1.71933e+04   -2.15578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19973e+04   -1.73628e+06    3.46809e+05   -1.38948e+06    5.61759e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11247e+02   -2.12091e+02   -2.63473e+01    3.57903e-06

           Step           Time
      244355000   488710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61527e+03    1.82450e+04    1.26179e+04    1.08291e+03   -2.86241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58356e+03    1.04599e+05    2.79759e+05   -1.72031e+04   -2.15404e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20896e+04   -1.73351e+06    3.47574e+05   -1.38594e+06    5.62042e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11934e+02   -2.12333e+02    1.74748e+01    3.49007e-06

           Step           Time
      244360000   488720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63777e+03    1.85017e+04    1.23535e+04    1.08863e+03   -2.73910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40788e+03    1.04126e+05    2.81168e+05   -1.71355e+04   -2.15573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20038e+04   -1.73432e+06    3.48506e+05   -1.38581e+06    5.62168e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12770e+02   -2.10669e+02   -7.04851e+01    3.60871e-06

           Step           Time
      244365000   488730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42971e+03    1.82293e+04    1.22672e+04    1.03502e+03   -2.79361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50213e+03    1.04616e+05    2.80214e+05   -1.71782e+04   -2.15721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22229e+04   -1.73667e+06    3.46625e+05   -1.39004e+06    5.62841e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11082e+02   -2.11717e+02   -1.83264e+01    3.58605e-06

           Step           Time
      244370000   488740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48773e+03    1.81503e+04    1.22367e+04    1.19664e+03   -2.75944e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48225e+03    1.04320e+05    2.78112e+05   -1.71783e+04   -2.15468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20223e+04   -1.73661e+06    3.46029e+05   -1.39058e+06    5.63094e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10548e+02   -2.11720e+02   -8.49056e+01    3.61562e-06

           Step           Time
      244375000   488750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35082e+03    1.82489e+04    1.23546e+04    1.01623e+03   -2.81190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43158e+03    1.04172e+05    2.79440e+05   -1.71325e+04   -2.15306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19982e+04   -1.73400e+06    3.46029e+05   -1.38797e+06    5.63089e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10547e+02   -2.10594e+02   -1.13452e+02    3.66735e-06

           Step           Time
      244380000   488760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63176e+03    1.83133e+04    1.23289e+04    9.87496e+02   -2.86189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58152e+03    1.04899e+05    2.81464e+05   -1.72080e+04   -2.15699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18736e+04   -1.73498e+06    3.47931e+05   -1.38705e+06    5.63411e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12254e+02   -2.12453e+02    6.99266e+01    3.80341e-06

           Step           Time
      244385000   488770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52862e+03    1.83765e+04    1.23895e+04    1.02325e+03   -2.86523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46732e+03    1.04346e+05    2.80851e+05   -1.71396e+04   -2.15705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18536e+04   -1.73622e+06    3.45293e+05   -1.39093e+06    5.63890e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09887e+02   -2.10769e+02   -1.01522e+01    3.62057e-06

           Step           Time
      244390000   488780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62397e+03    1.83196e+04    1.22485e+04    1.09439e+03   -2.95963e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47355e+03    1.04055e+05    2.82756e+05   -1.71365e+04   -2.16046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19630e+04   -1.73802e+06    3.47067e+05   -1.39095e+06    5.64018e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11479e+02   -2.10692e+02   -7.56235e+01    3.66577e-06

           Step           Time
      244395000   488790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47725e+03    1.85856e+04    1.21620e+04    1.08683e+03   -2.88807e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48516e+03    1.04046e+05    2.81306e+05   -1.71999e+04   -2.15953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.16986e+04   -1.73877e+06    3.46390e+05   -1.39238e+06    5.63889e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10871e+02   -2.12254e+02   -2.32312e+01    3.54727e-06

           Step           Time
      244400000   488800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53104e+03    1.80225e+04    1.24006e+04    1.11774e+03   -2.87350e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50308e+03    1.04488e+05    2.80540e+05   -1.71898e+04   -2.15561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20403e+04   -1.73503e+06    3.45758e+05   -1.38927e+06    5.64742e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10305e+02   -2.12003e+02    4.56540e+01    3.61767e-06

           Step           Time
      244405000   488810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56476e+03    1.85399e+04    1.22817e+04    1.07002e+03   -2.81936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51018e+03    1.04069e+05    2.80376e+05   -1.71933e+04   -2.15345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20628e+04   -1.73299e+06    3.46411e+05   -1.38658e+06    5.64909e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10891e+02   -2.12091e+02    8.43805e+01    3.58886e-06

           Step           Time
      244410000   488820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43255e+03    1.82458e+04    1.24056e+04    1.04361e+03   -2.94884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47037e+03    1.04246e+05    2.81799e+05   -1.71818e+04   -2.15947e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19901e+04   -1.73797e+06    3.46408e+05   -1.39156e+06    5.64808e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10887e+02   -2.11808e+02   -1.38675e+01    3.68779e-06

           Step           Time
      244415000   488830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62993e+03    1.81393e+04    1.24554e+04    1.17772e+03   -2.95146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47628e+03    1.03990e+05    2.80644e+05   -1.71565e+04   -2.15669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19047e+04   -1.73639e+06    3.46457e+05   -1.38993e+06    5.65322e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.11185e+02   -1.42190e+02    3.73328e-06

           Step           Time
      244420000   488840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56102e+03    1.84069e+04    1.22134e+04    1.12462e+03   -2.81694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42996e+03    1.04056e+05    2.81454e+05   -1.71336e+04   -2.15458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20490e+04   -1.73324e+06    3.47468e+05   -1.38577e+06    5.65578e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11839e+02   -2.10622e+02   -3.81115e+01    3.79516e-06

           Step           Time
      244425000   488850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58850e+03    1.83771e+04    1.22064e+04    1.05482e+03   -2.81225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55246e+03    1.03999e+05    2.81170e+05   -1.72160e+04   -2.15554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18513e+04   -1.73476e+06    3.47853e+05   -1.38691e+06    5.65884e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12184e+02   -2.12650e+02    1.07944e+02    3.65154e-06

           Step           Time
      244430000   488860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33682e+03    1.78937e+04    1.24086e+04    1.14234e+03   -2.84184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55183e+03    1.04425e+05    2.78215e+05   -1.71674e+04   -2.15392e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21290e+04   -1.73582e+06    3.44858e+05   -1.39097e+06    5.66194e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09497e+02   -2.11453e+02   -1.05128e+02    3.61163e-06

           Step           Time
      244435000   488870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38827e+03    1.80406e+04    1.22005e+04    1.01651e+03   -2.79192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41584e+03    1.04704e+05    2.83154e+05   -1.72490e+04   -2.16164e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18894e+04   -1.73887e+06    3.46380e+05   -1.39249e+06    5.66868e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10863e+02   -2.13466e+02    8.31117e+01    3.68668e-06

           Step           Time
      244440000   488880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33557e+03    1.78325e+04    1.25507e+04    1.10855e+03   -2.91658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53948e+03    1.04548e+05    2.79744e+05   -1.71822e+04   -2.15673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21109e+04   -1.73706e+06    3.46616e+05   -1.39044e+06    5.67044e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11075e+02   -2.11817e+02   -3.33393e+01    3.66798e-06

           Step           Time
      244445000   488890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41490e+03    1.87923e+04    1.22467e+04    1.14654e+03   -2.81181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44342e+03    1.03669e+05    2.83070e+05   -1.72086e+04   -2.15677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20431e+04   -1.73397e+06    3.46047e+05   -1.38792e+06    5.67580e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10563e+02   -2.12467e+02    1.50875e+02    3.65053e-06

Writing checkpoint, step 244447900 at Sat Dec  2 02:53:07 2023


           Step           Time
      244450000   488900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64666e+03    1.81681e+04    1.23843e+04    9.91676e+02   -2.87280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58271e+03    1.04123e+05    2.79284e+05   -1.71811e+04   -2.15457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19256e+04   -1.73552e+06    3.48248e+05   -1.38727e+06    5.67294e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12539e+02   -2.11790e+02   -9.92708e+01    3.71063e-06

           Step           Time
      244455000   488910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38562e+03    1.81468e+04    1.24568e+04    1.08987e+03   -2.92055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49385e+03    1.04177e+05    2.82975e+05   -1.72006e+04   -2.15850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18832e+04   -1.73601e+06    3.44826e+05   -1.39118e+06    5.67831e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09468e+02   -2.12269e+02    1.17063e+02    3.80441e-06

           Step           Time
      244460000   488920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49436e+03    1.81320e+04    1.23024e+04    1.09376e+03   -2.83557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42965e+03    1.03899e+05    2.80984e+05   -1.71907e+04   -2.15620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17703e+04   -1.73612e+06    3.45746e+05   -1.39037e+06    5.67595e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10293e+02   -2.12027e+02   -6.39796e+01    3.55143e-06

           Step           Time
      244465000   488930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50318e+03    1.86956e+04    1.21186e+04    1.11337e+03   -2.79662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51295e+03    1.04086e+05    2.80771e+05   -1.72308e+04   -2.15478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18889e+04   -1.73411e+06    3.46440e+05   -1.38767e+06    5.68345e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10917e+02   -2.13015e+02    8.52883e+01    3.67144e-06

           Step           Time
      244470000   488940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58652e+03    1.85338e+04    1.23110e+04    1.10155e+03   -2.75200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33772e+03    1.03910e+05    2.82583e+05   -1.71908e+04   -2.15707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22288e+04   -1.73442e+06    3.46494e+05   -1.38793e+06    5.68612e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10965e+02   -2.12029e+02    6.93393e+01    3.73099e-06

           Step           Time
      244475000   488950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37149e+03    1.83864e+04    1.24614e+04    9.67032e+02   -2.76876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46438e+03    1.03518e+05    2.81145e+05   -1.71752e+04   -2.15592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21057e+04   -1.73544e+06    3.47382e+05   -1.38806e+06    5.68408e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11762e+02   -2.11644e+02    5.73810e+01    3.60954e-06

           Step           Time
      244480000   488960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67426e+03    1.81620e+04    1.24381e+04    1.04288e+03   -2.75057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40497e+03    1.03927e+05    2.82095e+05   -1.71739e+04   -2.15639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19070e+04   -1.73466e+06    3.47630e+05   -1.38703e+06    5.68549e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11984e+02   -2.11612e+02   -3.95470e+01    3.86820e-06

           Step           Time
      244485000   488970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48378e+03    1.80182e+04    1.22809e+04    1.16220e+03   -2.86709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53221e+03    1.04371e+05    2.78256e+05   -1.71901e+04   -2.15004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20731e+04   -1.73192e+06    3.47589e+05   -1.38433e+06    5.68771e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11947e+02   -2.12012e+02   -2.60700e+01    3.59740e-06

           Step           Time
      244490000   488980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57156e+03    1.81806e+04    1.23777e+04    1.06632e+03   -2.83234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55818e+03    1.04112e+05    2.81730e+05   -1.72400e+04   -2.15738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19391e+04   -1.73592e+06    3.47755e+05   -1.38816e+06    5.69526e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12097e+02   -2.13243e+02    1.14694e+02    3.53431e-06

           Step           Time
      244495000   488990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59438e+03    1.82130e+04    1.23730e+04    1.09007e+03   -2.85020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48503e+03    1.04116e+05    2.83842e+05   -1.71951e+04   -2.15963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19197e+04   -1.73604e+06    3.47546e+05   -1.38850e+06    5.69890e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11909e+02   -2.12134e+02    1.35053e+02    3.70394e-06

           Step           Time
      244500000   489000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71696e+03    1.86440e+04    1.23181e+04    1.09251e+03   -2.86366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35093e+03    1.03848e+05    2.81950e+05   -1.72127e+04   -2.15590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20417e+04   -1.73401e+06    3.47188e+05   -1.38682e+06    5.70235e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11587e+02   -2.12569e+02    6.43000e+01    3.53103e-06

           Step           Time
      244505000   489010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71185e+03    1.80749e+04    1.24360e+04    1.08968e+03   -2.80164e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36847e+03    1.04162e+05    2.78158e+05   -1.71738e+04   -2.14957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20313e+04   -1.73151e+06    3.46440e+05   -1.38507e+06    5.70166e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10917e+02   -2.11610e+02   -1.53046e+02    3.84125e-06

           Step           Time
      244510000   489020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45722e+03    1.80760e+04    1.22013e+04    1.06711e+03   -2.78682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64375e+03    1.04212e+05    2.82027e+05   -1.71930e+04   -2.15705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20288e+04   -1.73531e+06    3.46632e+05   -1.38868e+06    5.70309e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11088e+02   -2.12083e+02    7.57127e+01    3.67790e-06

           Step           Time
      244515000   489030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57642e+03    1.81766e+04    1.23180e+04    1.09106e+03   -2.92464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45565e+03    1.04323e+05    2.82017e+05   -1.71820e+04   -2.15849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20332e+04   -1.73661e+06    3.46333e+05   -1.39027e+06    5.70911e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10821e+02   -2.11811e+02    3.90802e+01    3.60206e-06

           Step           Time
      244520000   489040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68502e+03    1.87297e+04    1.23993e+04    1.03045e+03   -2.79148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55434e+03    1.04231e+05    2.79234e+05   -1.71650e+04   -2.15286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20886e+04   -1.73286e+06    3.48095e+05   -1.38477e+06    5.71279e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12401e+02   -2.11393e+02   -8.34687e+00    3.59674e-06

           Step           Time
      244525000   489050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60399e+03    1.84704e+04    1.24419e+04    9.54149e+02   -2.77547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33815e+03    1.03883e+05    2.78959e+05   -1.71665e+04   -2.15418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17955e+04   -1.73567e+06    3.46590e+05   -1.38909e+06    5.71298e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11051e+02   -2.11430e+02   -1.00160e+02    3.74500e-06

           Step           Time
      244530000   489060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75821e+03    1.85571e+04    1.23338e+04    1.10591e+03   -2.84985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42221e+03    1.03921e+05    2.82263e+05   -1.72068e+04   -2.16095e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20625e+04   -1.73858e+06    3.47411e+05   -1.39117e+06    5.71522e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11788e+02   -2.12423e+02   -2.21651e+01    3.65251e-06

           Step           Time
      244535000   489070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48683e+03    1.83853e+04    1.23028e+04    1.02157e+03   -2.89006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53909e+03    1.03930e+05    2.80149e+05   -1.71464e+04   -2.15377e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20330e+04   -1.73396e+06    3.45397e+05   -1.38856e+06    5.71929e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09980e+02   -2.10936e+02   -8.93517e+00    3.58375e-06

           Step           Time
      244540000   489080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40603e+03    1.83427e+04    1.23514e+04    1.08036e+03   -2.66930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45753e+03    1.03868e+05    2.80331e+05   -1.71565e+04   -2.15381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20631e+04   -1.73374e+06    3.46383e+05   -1.38735e+06    5.72238e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10865e+02   -2.11184e+02    1.45368e+01    3.62950e-06

           Step           Time
      244545000   489090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42931e+03    1.80129e+04    1.23802e+04    1.02808e+03   -2.79851e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45745e+03    1.04033e+05    2.81591e+05   -1.71842e+04   -2.15730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18737e+04   -1.73647e+06    3.47108e+05   -1.38936e+06    5.72409e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11516e+02   -2.11865e+02    2.98457e+01    3.53756e-06

           Step           Time
      244550000   489100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28101e+03    1.84065e+04    1.23602e+04    1.08681e+03   -2.85610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51446e+03    1.03896e+05    2.81476e+05   -1.71899e+04   -2.15518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18003e+04   -1.73441e+06    3.46950e+05   -1.38746e+06    5.72552e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11374e+02   -2.12005e+02    9.86753e+01    3.77951e-06

           Step           Time
      244555000   489110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88501e+03    1.84757e+04    1.21862e+04    1.19001e+03   -2.80921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44709e+03    1.03935e+05    2.82129e+05   -1.72524e+04   -2.15763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19333e+04   -1.73551e+06    3.48252e+05   -1.38726e+06    5.73435e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12543e+02   -2.13549e+02    1.16312e+02    3.75844e-06

           Step           Time
      244560000   489120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60399e+03    1.81936e+04    1.20663e+04    1.01223e+03   -2.78160e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52656e+03    1.04228e+05    2.78930e+05   -1.71908e+04   -2.15348e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17339e+04   -1.73516e+06    3.44564e+05   -1.39059e+06    5.73071e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09233e+02   -2.12030e+02   -6.76734e+01    3.72133e-06

           Step           Time
      244565000   489130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49766e+03    1.85661e+04    1.24009e+04    1.05144e+03   -2.87434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45791e+03    1.04967e+05    2.80887e+05   -1.72087e+04   -2.15694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19704e+04   -1.73522e+06    3.48450e+05   -1.38677e+06    5.73755e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12721e+02   -2.12469e+02   -4.86582e-01    3.68607e-06

           Step           Time
      244570000   489140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40725e+03    1.82993e+04    1.22972e+04    1.07129e+03   -2.80549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54836e+03    1.04060e+05    2.81053e+05   -1.72069e+04   -2.15648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18090e+04   -1.73595e+06    3.46994e+05   -1.38896e+06    5.73684e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11414e+02   -2.12426e+02    2.77546e+01    3.64972e-06

           Step           Time
      244575000   489150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52246e+03    1.83276e+04    1.21468e+04    1.02953e+03   -2.84096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69146e+03    1.04113e+05    2.79889e+05   -1.71975e+04   -2.15287e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21422e+04   -1.73305e+06    3.46044e+05   -1.38700e+06    5.74474e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10561e+02   -2.12194e+02    2.45199e+01    3.78425e-06

           Step           Time
      244580000   489160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41582e+03    1.82505e+04    1.24117e+04    1.09055e+03   -2.79032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49106e+03    1.04131e+05    2.79056e+05   -1.72013e+04   -2.15127e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18827e+04   -1.73253e+06    3.46131e+05   -1.38640e+06    5.74594e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10640e+02   -2.12286e+02   -1.22002e+01    3.77943e-06

           Step           Time
      244585000   489170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52753e+03    1.84643e+04    1.22870e+04    1.08049e+03   -2.87522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53982e+03    1.03916e+05    2.80382e+05   -1.71897e+04   -2.15558e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20821e+04   -1.73537e+06    3.46616e+05   -1.38875e+06    5.74591e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11074e+02   -2.12002e+02    3.83988e+01    3.67454e-06

           Step           Time
      244590000   489180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73071e+03    1.85834e+04    1.25284e+04    1.04179e+03   -2.82001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49006e+03    1.04116e+05    2.81973e+05   -1.72148e+04   -2.15660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20312e+04   -1.73414e+06    3.48726e+05   -1.38542e+06    5.75424e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12968e+02   -2.12620e+02    1.67245e+01    3.64138e-06

           Step           Time
      244595000   489190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40392e+03    1.81700e+04    1.22550e+04    1.06112e+03   -2.83276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59288e+03    1.04224e+05    2.79204e+05   -1.71880e+04   -2.15336e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18192e+04   -1.73465e+06    3.46827e+05   -1.38782e+06    5.74838e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11264e+02   -2.11960e+02   -2.12410e+01    3.68850e-06

           Step           Time
      244600000   489200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80718e+03    1.81774e+04    1.23623e+04    1.03830e+03   -2.89941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54346e+03    1.03654e+05    2.81024e+05   -1.71835e+04   -2.15546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20417e+04   -1.73489e+06    3.47448e+05   -1.38744e+06    5.75659e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11821e+02   -2.11848e+02   -1.93297e+00    3.62625e-06

           Step           Time
      244605000   489210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59540e+03    1.82878e+04    1.25114e+04    1.11956e+03   -2.99099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46921e+03    1.03918e+05    2.79754e+05   -1.71623e+04   -2.15284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20974e+04   -1.73325e+06    3.46258e+05   -1.38699e+06    5.75642e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10753e+02   -2.11326e+02   -7.11122e+01    3.59949e-06

           Step           Time
      244610000   489220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54987e+03    1.84085e+04    1.22075e+04    1.07242e+03   -2.95029e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52701e+03    1.03924e+05    2.81379e+05   -1.71737e+04   -2.15558e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18500e+04   -1.73479e+06    3.44498e+05   -1.39029e+06    5.76149e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09174e+02   -2.11608e+02    2.72579e+01    3.56388e-06

           Step           Time
      244615000   489230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73172e+03    1.85028e+04    1.23687e+04    1.06671e+03   -2.91587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40504e+03    1.04227e+05    2.80139e+05   -1.72172e+04   -2.15493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20180e+04   -1.73461e+06    3.47112e+05   -1.38750e+06    5.76560e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11520e+02   -2.12680e+02    2.52589e+00    3.60705e-06

           Step           Time
      244620000   489240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53100e+03    1.79786e+04    1.22393e+04    1.01671e+03   -2.80895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62901e+03    1.04569e+05    2.80770e+05   -1.72497e+04   -2.15688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19276e+04   -1.73628e+06    3.47629e+05   -1.38865e+06    5.76689e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11983e+02   -2.13483e+02    1.10324e+02    3.79945e-06

           Step           Time
      244625000   489250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37153e+03    1.84728e+04    1.22657e+04    1.05814e+03   -2.88299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50217e+03    1.04310e+05    2.80191e+05   -1.71962e+04   -2.15446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20997e+04   -1.73426e+06    3.46676e+05   -1.38759e+06    5.76819e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11128e+02   -2.12161e+02    9.74389e+00    3.72634e-06

           Step           Time
      244630000   489260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68013e+03    1.80644e+04    1.22738e+04    1.08393e+03   -2.85665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36828e+03    1.04098e+05    2.80555e+05   -1.72001e+04   -2.15595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20177e+04   -1.73586e+06    3.46002e+05   -1.38986e+06    5.76744e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10523e+02   -2.12258e+02   -3.88147e+01    3.56737e-06

           Step           Time
      244635000   489270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45254e+03    1.84216e+04    1.25152e+04    1.07108e+03   -2.84388e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60788e+03    1.03920e+05    2.79897e+05   -1.72063e+04   -2.15457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19275e+04   -1.73481e+06    3.46148e+05   -1.38866e+06    5.77541e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10655e+02   -2.12411e+02    2.87006e+01    3.47571e-06

           Step           Time
      244640000   489280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36306e+03    1.83598e+04    1.25131e+04    1.14672e+03   -2.79977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53695e+03    1.03898e+05    2.80973e+05   -1.71149e+04   -2.15374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20886e+04   -1.73278e+06    3.47792e+05   -1.38498e+06    5.77048e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12130e+02   -2.10162e+02   -3.13968e+01    3.73501e-06

           Step           Time
      244645000   489290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45385e+03    1.80907e+04    1.23748e+04    1.16712e+03   -2.85067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46787e+03    1.04250e+05    2.82986e+05   -1.71551e+04   -2.15829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19792e+04   -1.73553e+06    3.46515e+05   -1.38902e+06    5.77748e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10984e+02   -2.11151e+02    4.69062e+01    3.63901e-06

           Step           Time
      244650000   489300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48094e+03    1.80548e+04    1.22024e+04    1.07014e+03   -2.81144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54091e+03    1.04488e+05    2.79211e+05   -1.71920e+04   -2.15428e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20804e+04   -1.73515e+06    3.47804e+05   -1.38735e+06    5.77704e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12141e+02   -2.12058e+02    3.40947e+00    3.54228e-06

           Step           Time
      244655000   489310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54710e+03    1.81128e+04    1.24144e+04    1.09405e+03   -2.87483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44275e+03    1.03817e+05    2.78564e+05   -1.71708e+04   -2.15228e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20345e+04   -1.73430e+06    3.45061e+05   -1.38924e+06    5.78065e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09679e+02   -2.11535e+02   -6.28301e+01    3.58966e-06

           Step           Time
      244660000   489320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36789e+03    1.83567e+04    1.23955e+04    1.06369e+03   -2.94638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42840e+03    1.03751e+05    2.82042e+05   -1.72204e+04   -2.15791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20295e+04   -1.73665e+06    3.44165e+05   -1.39248e+06    5.78800e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08875e+02   -2.12758e+02    6.36517e+01    3.51702e-06

           Step           Time
      244665000   489330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55233e+03    1.81638e+04    1.23326e+04    1.10107e+03   -2.97185e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54746e+03    1.04007e+05    2.79116e+05   -1.71854e+04   -2.15281e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19843e+04   -1.73416e+06    3.46082e+05   -1.38808e+06    5.79159e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10595e+02   -2.11894e+02   -2.99245e+01    3.70548e-06

           Step           Time
      244670000   489340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42545e+03    1.83156e+04    1.24245e+04    9.72708e+02   -2.84790e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43455e+03    1.04579e+05    2.81368e+05   -1.72183e+04   -2.15922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19814e+04   -1.73779e+06    3.47837e+05   -1.38995e+06    5.79404e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12170e+02   -2.12705e+02    8.54779e+00    3.59754e-06

           Step           Time
      244675000   489350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57372e+03    1.84424e+04    1.20696e+04    9.55851e+02   -2.79412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49395e+03    1.03840e+05    2.80678e+05   -1.71396e+04   -2.15434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19271e+04   -1.73429e+06    3.47516e+05   -1.38678e+06    5.79656e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11882e+02   -2.10769e+02   -4.39926e+01    3.62678e-06

           Step           Time
      244680000   489360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41778e+03    1.78983e+04    1.25192e+04    1.09027e+03   -2.88202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55510e+03    1.04226e+05    2.82999e+05   -1.71919e+04   -2.15744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19548e+04   -1.73486e+06    3.48061e+05   -1.38679e+06    5.79565e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12372e+02   -2.12057e+02    1.45681e+02    3.63750e-06

           Step           Time
      244685000   489370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57332e+03    1.84645e+04    1.21913e+04    1.15438e+03   -2.83632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44398e+03    1.03920e+05    2.79635e+05   -1.71128e+04   -2.15333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21104e+04   -1.73379e+06    3.45847e+05   -1.38794e+06    5.80070e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10384e+02   -2.10110e+02   -1.45840e+02    3.57314e-06

           Step           Time
      244690000   489380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56770e+03    1.83413e+04    1.21474e+04    1.08911e+03   -2.79793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50959e+03    1.04547e+05    2.78009e+05   -1.71904e+04   -2.15295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19203e+04   -1.73481e+06    3.45381e+05   -1.38943e+06    5.80802e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09966e+02   -2.12019e+02   -9.63244e+01    3.70964e-06

           Step           Time
      244695000   489390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63785e+03    1.81325e+04    1.22807e+04    1.01258e+03   -2.90584e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42247e+03    1.04426e+05    2.81993e+05   -1.71763e+04   -2.15808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18736e+04   -1.73638e+06    3.45744e+05   -1.39064e+06    5.80944e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10291e+02   -2.11672e+02   -7.78920e+00    3.63280e-06

           Step           Time
      244700000   489400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62500e+03    1.82223e+04    1.22815e+04    1.02689e+03   -2.88517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38200e+03    1.04580e+05    2.81875e+05   -1.72081e+04   -2.15825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19121e+04   -1.73644e+06    3.46128e+05   -1.39031e+06    5.81435e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10636e+02   -2.12454e+02    1.12384e+01    3.53799e-06

           Step           Time
      244705000   489410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60030e+03    1.79643e+04    1.23140e+04    1.09788e+03   -2.86394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34207e+03    1.03988e+05    2.82516e+05   -1.72077e+04   -2.16003e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20183e+04   -1.73827e+06    3.46647e+05   -1.39162e+06    5.81319e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11102e+02   -2.12445e+02   -2.61328e+01    3.45185e-06

           Step           Time
      244710000   489420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42548e+03    1.85169e+04    1.26365e+04    1.05509e+03   -2.78787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48389e+03    1.03927e+05    2.79552e+05   -1.72288e+04   -2.15405e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20579e+04   -1.73441e+06    3.47554e+05   -1.38686e+06    5.81662e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11916e+02   -2.12965e+02    4.42977e+00    3.69898e-06

           Step           Time
      244715000   489430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75786e+03    1.86753e+04    1.21298e+04    1.12257e+03   -2.76575e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48802e+03    1.03744e+05    2.78859e+05   -1.71926e+04   -2.15394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19643e+04   -1.73516e+06    3.48200e+05   -1.38696e+06    5.82272e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12496e+02   -2.12074e+02   -6.41852e+01    3.53757e-06

           Step           Time
      244720000   489440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51921e+03    1.84628e+04    1.22508e+04    1.08099e+03   -2.81911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48937e+03    1.03899e+05    2.80732e+05   -1.71886e+04   -2.15511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20115e+04   -1.73467e+06    3.45855e+05   -1.38882e+06    5.82081e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10391e+02   -2.11975e+02   -4.35828e+01    3.53486e-06

           Step           Time
      244725000   489450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62174e+03    1.81082e+04    1.23359e+04    1.01511e+03   -2.94216e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38022e+03    1.04194e+05    2.78902e+05   -1.71931e+04   -2.15403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20079e+04   -1.73560e+06    3.47502e+05   -1.38809e+06    5.82235e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11869e+02   -2.12085e+02   -1.02175e+02    3.64185e-06

           Step           Time
      244730000   489460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52573e+03    1.80099e+04    1.22858e+04    1.04589e+03   -2.89565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44124e+03    1.04332e+05    2.80117e+05   -1.71854e+04   -2.15672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18886e+04   -1.73715e+06    3.46854e+05   -1.39030e+06    5.82408e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11288e+02   -2.11895e+02   -6.08108e+01    3.34255e-06

           Step           Time
      244735000   489470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47546e+03    1.80683e+04    1.23624e+04    1.10270e+03   -2.80498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51491e+03    1.04369e+05    2.81744e+05   -1.72187e+04   -2.15746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20835e+04   -1.73577e+06    3.46543e+05   -1.38923e+06    5.83228e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11009e+02   -2.12717e+02    4.16923e+01    3.64145e-06

           Step           Time
      244740000   489480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25936e+03    1.79954e+04    1.21256e+04    1.00397e+03   -2.94132e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53474e+03    1.04669e+05    2.82098e+05   -1.71850e+04   -2.15912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19431e+04   -1.73761e+06    3.44941e+05   -1.39267e+06    5.83232e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09571e+02   -2.11885e+02   -1.11263e+01    3.62381e-06

           Step           Time
      244745000   489490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61654e+03    1.78756e+04    1.22898e+04    1.11680e+03   -2.81502e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57298e+03    1.04221e+05    2.80202e+05   -1.71812e+04   -2.15417e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21629e+04   -1.73411e+06    3.45786e+05   -1.38833e+06    5.83691e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10330e+02   -2.11792e+02   -3.12596e+01    3.54721e-06

           Step           Time
      244750000   489500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53754e+03    1.80911e+04    1.24387e+04    1.11585e+03   -2.84973e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61250e+03    1.04283e+05    2.79915e+05   -1.71677e+04   -2.15447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19465e+04   -1.73455e+06    3.47759e+05   -1.38679e+06    5.83672e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12100e+02   -2.11459e+02   -2.27349e+01    3.63159e-06

           Step           Time
      244755000   489510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36643e+03    1.81302e+04    1.22361e+04    1.13182e+03   -2.82860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47521e+03    1.04704e+05    2.81440e+05   -1.72147e+04   -2.15888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18152e+04   -1.73762e+06    3.45382e+05   -1.39224e+06    5.84464e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09967e+02   -2.12618e+02    5.57700e+01    3.43983e-06

           Step           Time
      244760000   489520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53722e+03    1.82605e+04    1.23816e+04    1.09858e+03   -2.81213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41803e+03    1.04450e+05    2.79352e+05   -1.71192e+04   -2.15217e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20293e+04   -1.73258e+06    3.46302e+05   -1.38628e+06    5.84925e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10793e+02   -2.10267e+02   -5.48412e+01    3.57234e-06

           Step           Time
      244765000   489530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60331e+03    1.79444e+04    1.23713e+04    9.93250e+02   -3.01302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51582e+03    1.04153e+05    2.81706e+05   -1.71906e+04   -2.15590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18460e+04   -1.73497e+06    3.44984e+05   -1.38999e+06    5.85114e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09609e+02   -2.12025e+02    4.51083e+01    3.47282e-06

           Step           Time
      244770000   489540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29251e+03    1.83917e+04    1.22585e+04    1.07531e+03   -2.84545e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50837e+03    1.04369e+05    2.83214e+05   -1.72249e+04   -2.16149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20634e+04   -1.73839e+06    3.45526e+05   -1.39286e+06    5.85122e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10096e+02   -2.12869e+02    1.73127e+02    3.57176e-06

           Step           Time
      244775000   489550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47671e+03    1.83819e+04    1.22528e+04    1.04958e+03   -2.84660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40034e+03    1.03881e+05    2.82290e+05   -1.71614e+04   -2.15725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18409e+04   -1.73568e+06    3.44606e+05   -1.39108e+06    5.85555e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09270e+02   -2.11305e+02    7.10704e-01    3.41252e-06

           Step           Time
      244780000   489560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44180e+03    1.81997e+04    1.24335e+04    1.02009e+03   -2.87637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54446e+03    1.04143e+05    2.81743e+05   -1.71815e+04   -2.15671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18983e+04   -1.73535e+06    3.47342e+05   -1.38801e+06    5.86026e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11726e+02   -2.11801e+02    5.38572e+01    3.47346e-06

           Step           Time
      244785000   489570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55045e+03    1.83423e+04    1.25571e+04    1.10069e+03   -2.74484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51044e+03    1.03628e+05    2.80652e+05   -1.71991e+04   -2.15761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20406e+04   -1.73717e+06    3.46498e+05   -1.39068e+06    5.86388e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10968e+02   -2.12233e+02   -8.80154e+01    3.57299e-06

           Step           Time
      244790000   489580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48129e+03    1.81193e+04    1.23981e+04    1.09185e+03   -2.84240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44523e+03    1.04387e+05    2.81939e+05   -1.71441e+04   -2.15559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19604e+04   -1.73375e+06    3.47056e+05   -1.38669e+06    5.86454e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11470e+02   -2.10880e+02    2.27542e+01    3.58617e-06

           Step           Time
      244795000   489590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63204e+03    1.85163e+04    1.23206e+04    9.80622e+02   -2.78478e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32579e+03    1.03787e+05    2.82208e+05   -1.71923e+04   -2.15628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21330e+04   -1.73436e+06    3.45643e+05   -1.38871e+06    5.87199e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10201e+02   -2.12065e+02   -3.62729e-01    3.71852e-06

           Step           Time
      244800000   489600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63026e+03    1.81540e+04    1.22941e+04    1.16955e+03   -2.88548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47576e+03    1.04422e+05    2.83010e+05   -1.71788e+04   -2.15897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19960e+04   -1.73588e+06    3.48136e+05   -1.38774e+06    5.87418e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12439e+02   -2.11732e+02    3.95647e+01    3.50473e-06

           Step           Time
      244805000   489610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66132e+03    1.79018e+04    1.21656e+04    1.10434e+03   -2.73014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46550e+03    1.04171e+05    2.80020e+05   -1.71862e+04   -2.15491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19713e+04   -1.73536e+06    3.47392e+05   -1.38797e+06    5.87409e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11771e+02   -2.11916e+02   -5.21591e+01    3.46760e-06

           Step           Time
      244810000   489620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38574e+03    1.80776e+04    1.24724e+04    1.21057e+03   -2.76104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62773e+03    1.04224e+05    2.80523e+05   -1.72155e+04   -2.15668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19277e+04   -1.73621e+06    3.47137e+05   -1.38907e+06    5.87519e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11542e+02   -2.12637e+02    7.21296e+01    3.62982e-06

           Step           Time
      244815000   489630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46628e+03    1.79985e+04    1.23798e+04    1.14309e+03   -2.88527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42687e+03    1.04515e+05    2.82079e+05   -1.72013e+04   -2.15702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21435e+04   -1.73495e+06    3.47110e+05   -1.38784e+06    5.87489e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11518e+02   -2.12288e+02    5.94163e+01    3.91728e-06

           Step           Time
      244820000   489640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63032e+03    1.81555e+04    1.22121e+04    1.09154e+03   -2.80061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49088e+03    1.04486e+05    2.80032e+05   -1.71930e+04   -2.15499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20297e+04   -1.73486e+06    3.44907e+05   -1.38995e+06    5.87921e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09541e+02   -2.12083e+02   -1.33258e+01    3.44085e-06

           Step           Time
      244825000   489650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54013e+03    1.81251e+04    1.23557e+04    1.15645e+03   -2.82359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46223e+03    1.03864e+05    2.78946e+05   -1.71965e+04   -2.15379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19466e+04   -1.73541e+06    3.47344e+05   -1.38807e+06    5.87988e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11727e+02   -2.12168e+02   -4.79454e+01    3.57934e-06

           Step           Time
      244830000   489660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31486e+03    1.79969e+04    1.24617e+04    1.10898e+03   -2.82903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48388e+03    1.04559e+05    2.79207e+05   -1.71702e+04   -2.15448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18869e+04   -1.73546e+06    3.45688e+05   -1.38977e+06    5.88262e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10242e+02   -2.11521e+02   -7.59249e+01    3.65892e-06

           Step           Time
      244835000   489670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46203e+03    1.82039e+04    1.23363e+04    1.09045e+03   -2.80165e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55528e+03    1.04019e+05    2.81300e+05   -1.71870e+04   -2.15515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19852e+04   -1.73419e+06    3.45855e+05   -1.38833e+06    5.89229e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10392e+02   -2.11934e+02    4.66272e+00    3.33064e-06

           Step           Time
      244840000   489680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41558e+03    1.84709e+04    1.24340e+04    1.20472e+03   -2.86938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54068e+03    1.04570e+05    2.81539e+05   -1.71922e+04   -2.15590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18594e+04   -1.73393e+06    3.46816e+05   -1.38711e+06    5.89096e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11254e+02   -2.12064e+02    4.27509e+01    3.64306e-06

           Step           Time
      244845000   489690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45719e+03    1.77553e+04    1.22122e+04    1.10074e+03   -2.81762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52319e+03    1.05022e+05    2.80393e+05   -1.72103e+04   -2.15674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19843e+04   -1.73632e+06    3.46962e+05   -1.38936e+06    5.89258e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11385e+02   -2.12509e+02    2.05707e+01    3.61651e-06

           Step           Time
      244850000   489700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47097e+03    1.82649e+04    1.21932e+04    1.00713e+03   -2.80182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50211e+03    1.04049e+05    2.83935e+05   -1.71923e+04   -2.15963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19701e+04   -1.73623e+06    3.47422e+05   -1.38881e+06    5.89275e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11798e+02   -2.12065e+02    1.12985e+02    3.56284e-06

           Step           Time
      244855000   489710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66987e+03    1.76367e+04    1.25534e+04    1.05411e+03   -2.86186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48851e+03    1.04257e+05    2.77633e+05   -1.71819e+04   -2.15323e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18291e+04   -1.73615e+06    3.46318e+05   -1.38984e+06    5.89751e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10807e+02   -2.11809e+02   -1.80441e+02    3.44735e-06

           Step           Time
      244860000   489720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65301e+03    1.79480e+04    1.24095e+04    1.10158e+03   -2.85583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53955e+03    1.04387e+05    2.80631e+05   -1.71688e+04   -2.15620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19379e+04   -1.73561e+06    3.45578e+05   -1.39004e+06    5.90368e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10143e+02   -2.11486e+02   -7.12985e+01    3.54543e-06

           Step           Time
      244865000   489730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61642e+03    1.78360e+04    1.23065e+04    1.01732e+03   -2.91420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50766e+03    1.04247e+05    2.81732e+05   -1.72296e+04   -2.15802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17286e+04   -1.73717e+06    3.47973e+05   -1.38920e+06    5.90264e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12293e+02   -2.12986e+02    3.40918e+01    3.45348e-06

           Step           Time
      244870000   489740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53664e+03    1.83918e+04    1.22536e+04    1.04378e+03   -2.85818e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50080e+03    1.04367e+05    2.80472e+05   -1.71779e+04   -2.15371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20194e+04   -1.73316e+06    3.47725e+05   -1.38543e+06    5.90644e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12070e+02   -2.11711e+02   -1.48080e+01    3.39831e-06

           Step           Time
      244875000   489750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38969e+03    1.83639e+04    1.20436e+04    1.11453e+03   -2.76259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50017e+03    1.04003e+05    2.80541e+05   -1.71744e+04   -2.15457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19694e+04   -1.73458e+06    3.45510e+05   -1.38907e+06    5.90976e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10082e+02   -2.11624e+02    1.00213e+01    3.52234e-06

           Step           Time
      244880000   489760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48654e+03    1.81312e+04    1.23804e+04    1.09389e+03   -2.85964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50601e+03    1.03954e+05    2.81867e+05   -1.72042e+04   -2.15759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20333e+04   -1.73620e+06    3.45959e+05   -1.39024e+06    5.91185e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10485e+02   -2.12358e+02    9.77606e+01    3.65355e-06

           Step           Time
      244885000   489770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40234e+03    1.82422e+04    1.23940e+04    1.11439e+03   -2.85113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61227e+03    1.03879e+05    2.81958e+05   -1.72179e+04   -2.15738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19954e+04   -1.73585e+06    3.48368e+05   -1.38748e+06    5.91441e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12647e+02   -2.12696e+02    3.13164e+01    3.53532e-06

           Step           Time
      244890000   489780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36215e+03    1.82909e+04    1.23924e+04    1.13616e+03   -2.79540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48548e+03    1.03988e+05    2.79571e+05   -1.71960e+04   -2.15589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19279e+04   -1.73673e+06    3.44630e+05   -1.39210e+06    5.92131e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09292e+02   -2.12157e+02   -2.54363e+01    3.41245e-06

           Step           Time
      244895000   489790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44611e+03    1.82098e+04    1.25507e+04    1.10757e+03   -2.80368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51142e+03    1.04539e+05    2.83788e+05   -1.71943e+04   -2.15778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20888e+04   -1.73354e+06    3.47499e+05   -1.38604e+06    5.92092e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11867e+02   -2.12114e+02    1.47475e+02    3.58880e-06

           Step           Time
      244900000   489800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54661e+03    1.83799e+04    1.23220e+04    1.12737e+03   -2.95412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41173e+03    1.03586e+05    2.81636e+05   -1.71594e+04   -2.15629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20201e+04   -1.73538e+06    3.46202e+05   -1.38917e+06    5.92240e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10703e+02   -2.11256e+02   -5.30337e+00    3.48190e-06

           Step           Time
      244905000   489810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72324e+03    1.86163e+04    1.23712e+04    1.09255e+03   -2.79850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44713e+03    1.03954e+05    2.79718e+05   -1.71961e+04   -2.15264e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19117e+04   -1.73280e+06    3.47647e+05   -1.38515e+06    5.92629e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12000e+02   -2.12159e+02    1.57592e+01    3.65385e-06

           Step           Time
      244910000   489820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51081e+03    1.83715e+04    1.24593e+04    1.11941e+03   -2.77749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44113e+03    1.04034e+05    2.81679e+05   -1.71910e+04   -2.15507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19740e+04   -1.73345e+06    3.46546e+05   -1.38690e+06    5.92819e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11011e+02   -2.12034e+02    7.17503e+00    3.35733e-06

           Step           Time
      244915000   489830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44187e+03    1.86075e+04    1.23504e+04    1.03628e+03   -2.79552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63661e+03    1.04437e+05    2.81710e+05   -1.71354e+04   -2.15352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18443e+04   -1.73139e+06    3.46123e+05   -1.38526e+06    5.93216e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10632e+02   -2.10666e+02    1.07281e+02    3.50356e-06

           Step           Time
      244920000   489840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52334e+03    1.82043e+04    1.23752e+04    1.04540e+03   -2.93605e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39701e+03    1.04476e+05    2.81147e+05   -1.71568e+04   -2.15393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19645e+04   -1.73289e+06    3.47159e+05   -1.38573e+06    5.93151e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11561e+02   -2.11192e+02    1.51410e+01    3.54595e-06

           Step           Time
      244925000   489850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42048e+03    1.82643e+04    1.23113e+04    1.00352e+03   -2.84544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53389e+03    1.04198e+05    2.79391e+05   -1.71400e+04   -2.15400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19366e+04   -1.73493e+06    3.45821e+05   -1.38911e+06    5.93896e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10361e+02   -2.10779e+02   -7.20582e+01    3.46498e-06

           Step           Time
      244930000   489860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48371e+03    1.81671e+04    1.22006e+04    1.05044e+03   -2.82212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57654e+03    1.04394e+05    2.80052e+05   -1.71398e+04   -2.15512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21009e+04   -1.73506e+06    3.46530e+05   -1.38853e+06    5.93930e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10997e+02   -2.10775e+02   -6.69613e+01    3.49807e-06

           Step           Time
      244935000   489870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50167e+03    1.83785e+04    1.23676e+04    1.00809e+03   -2.86192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43223e+03    1.04499e+05    2.81238e+05   -1.71810e+04   -2.15367e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20646e+04   -1.73223e+06    3.46234e+05   -1.38599e+06    5.93960e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10731e+02   -2.11786e+02    5.08778e+01    3.38804e-06

           Step           Time
      244940000   489880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45693e+03    1.82282e+04    1.22473e+04    1.12128e+03   -2.80071e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52528e+03    1.04402e+05    2.79705e+05   -1.71647e+04   -2.15475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20425e+04   -1.73498e+06    3.47360e+05   -1.38762e+06    5.93882e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11742e+02   -2.11386e+02   -2.13604e+01    3.55214e-06

           Step           Time
      244945000   489890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69084e+03    1.83155e+04    1.22486e+04    1.11674e+03   -2.86858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40347e+03    1.04113e+05    2.80856e+05   -1.71886e+04   -2.15551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20889e+04   -1.73474e+06    3.48799e+05   -1.38594e+06    5.94228e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13033e+02   -2.11974e+02    3.63907e+01    3.45819e-06

           Step           Time
      244950000   489900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48071e+03    1.81658e+04    1.22721e+04    1.02048e+03   -2.74950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44824e+03    1.04162e+05    2.79714e+05   -1.71774e+04   -2.15609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18830e+04   -1.73687e+06    3.46139e+05   -1.39073e+06    5.94689e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10647e+02   -2.11700e+02   -7.29104e+01    3.40778e-06

           Step           Time
      244955000   489910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36816e+03    1.86596e+04    1.23273e+04    1.12014e+03   -2.85860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47731e+03    1.03973e+05    2.80513e+05   -1.71788e+04   -2.15242e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21215e+04   -1.73190e+06    3.46708e+05   -1.38519e+06    5.94944e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11157e+02   -2.11734e+02    9.20161e+01    3.46155e-06

           Step           Time
      244960000   489920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76315e+03    1.82430e+04    1.23241e+04    1.08419e+03   -2.92316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56367e+03    1.04592e+05    2.83298e+05   -1.72086e+04   -2.15662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19553e+04   -1.73293e+06    3.47108e+05   -1.38582e+06    5.95656e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11516e+02   -2.12468e+02    1.14245e+02    3.46813e-06

           Step           Time
      244965000   489930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54989e+03    1.82816e+04    1.24665e+04    1.06567e+03   -2.86612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51530e+03    1.03617e+05    2.81044e+05   -1.71949e+04   -2.15525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20045e+04   -1.73476e+06    3.46847e+05   -1.38792e+06    5.95631e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11282e+02   -2.12130e+02    4.72525e+01    3.61652e-06

           Step           Time
      244970000   489940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33469e+03    1.79421e+04    1.23883e+04    1.11020e+03   -2.89319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65120e+03    1.04351e+05    2.77867e+05   -1.71829e+04   -2.15301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17969e+04   -1.73565e+06    3.45531e+05   -1.39012e+06    5.95484e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10101e+02   -2.11835e+02   -2.26420e+01    3.48828e-06

           Step           Time
      244975000   489950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68140e+03    1.79957e+04    1.24765e+04    1.14247e+03   -2.78195e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39508e+03    1.04299e+05    2.77999e+05   -1.72200e+04   -2.15164e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20326e+04   -1.73363e+06    3.45276e+05   -1.38835e+06    5.95954e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09872e+02   -2.12749e+02   -1.17650e+02    3.47724e-06

           Step           Time
      244980000   489960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51608e+03    1.84407e+04    1.23258e+04    1.04451e+03   -2.81324e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47254e+03    1.03809e+05    2.78769e+05   -1.71737e+04   -2.15514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19103e+04   -1.73684e+06    3.46043e+05   -1.39079e+06    5.96369e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10560e+02   -2.11606e+02   -1.05335e+02    3.59535e-06

           Step           Time
      244985000   489970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58176e+03    1.84439e+04    1.23455e+04    1.00351e+03   -2.82476e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47054e+03    1.03894e+05    2.80357e+05   -1.71787e+04   -2.15512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18223e+04   -1.73520e+06    3.47141e+05   -1.38806e+06    5.96636e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11545e+02   -2.11730e+02   -6.23956e+01    3.61675e-06

           Step           Time
      244990000   489980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77483e+03    1.83403e+04    1.23942e+04    1.12656e+03   -2.80347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45725e+03    1.03571e+05    2.81316e+05   -1.71864e+04   -2.15486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20145e+04   -1.73385e+06    3.47183e+05   -1.38667e+06    5.96634e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11583e+02   -2.11919e+02    1.76344e+00    3.55274e-06

           Step           Time
      244995000   489990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38352e+03    1.84153e+04    1.21945e+04    1.08078e+03   -2.81276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52373e+03    1.03970e+05    2.79803e+05   -1.72112e+04   -2.15567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19432e+04   -1.73638e+06    3.46311e+05   -1.39007e+06    5.96838e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10801e+02   -2.12532e+02   -3.64067e+01    3.42713e-06

           Step           Time
      245000000   490000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39011e+03    1.83637e+04    1.25403e+04    9.94454e+02   -2.77573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51976e+03    1.03963e+05    2.81754e+05   -1.72019e+04   -2.15751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21162e+04   -1.73585e+06    3.46027e+05   -1.38982e+06    5.97441e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10546e+02   -2.12301e+02    2.51426e+01    3.63851e-06

           Step           Time
      245005000   490010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38769e+03    1.81719e+04    1.23182e+04    1.06745e+03   -2.80014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47399e+03    1.03939e+05    2.79250e+05   -1.71777e+04   -2.15616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18535e+04   -1.73767e+06    3.47234e+05   -1.39044e+06    5.97305e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11629e+02   -2.11705e+02   -1.09377e+02    3.35420e-06

           Step           Time
      245010000   490020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31022e+03    1.81322e+04    1.23617e+04    1.12241e+03   -2.91293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42396e+03    1.04050e+05    2.79318e+05   -1.71549e+04   -2.15455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20835e+04   -1.73581e+06    3.44154e+05   -1.39166e+06    5.97671e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08865e+02   -2.11146e+02   -1.09583e+02    3.48305e-06

           Step           Time
      245015000   490030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48450e+03    1.80642e+04    1.22414e+04    1.12381e+03   -2.71297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49070e+03    1.03946e+05    2.81282e+05   -1.71768e+04   -2.15675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22366e+04   -1.73577e+06    3.43966e+05   -1.39180e+06    5.98561e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08696e+02   -2.11684e+02    2.77195e+01    3.55227e-06

           Step           Time
      245020000   490040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50580e+03    1.88295e+04    1.24314e+04    1.14410e+03   -2.89318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45575e+03    1.03690e+05    2.79934e+05   -1.71925e+04   -2.15222e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20302e+04   -1.73229e+06    3.47678e+05   -1.38461e+06    5.98362e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12027e+02   -2.12070e+02   -1.38509e+01    3.55264e-06

           Step           Time
      245025000   490050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82853e+03    1.86419e+04    1.24160e+04    1.05080e+03   -2.78437e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41119e+03    1.03497e+05    2.78860e+05   -1.71806e+04   -2.15339e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19704e+04   -1.73468e+06    3.48304e+05   -1.38638e+06    5.98862e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12589e+02   -2.11777e+02   -1.17070e+02    3.52321e-06

           Step           Time
      245030000   490060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21587e+03    1.81776e+04    1.23758e+04    1.00693e+03   -2.87044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51902e+03    1.03988e+05    2.81924e+05   -1.72098e+04   -2.15705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18965e+04   -1.73603e+06    3.46697e+05   -1.38933e+06    5.98989e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11147e+02   -2.12498e+02    9.99370e+01    3.52963e-06

           Step           Time
      245035000   490070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63556e+03    1.81631e+04    1.23394e+04    1.10016e+03   -2.78368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46596e+03    1.03966e+05    2.78382e+05   -1.71935e+04   -2.15160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19537e+04   -1.73357e+06    3.47811e+05   -1.38576e+06    5.99239e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12147e+02   -2.12096e+02   -1.18279e+02    3.39734e-06

           Step           Time
      245040000   490080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62633e+03    1.82967e+04    1.23375e+04    1.12577e+03   -2.87494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42939e+03    1.04003e+05    2.81645e+05   -1.71828e+04   -2.15590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19016e+04   -1.73459e+06    3.46772e+05   -1.38782e+06    5.99709e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11215e+02   -2.11831e+02    2.03632e+01    3.44305e-06

           Step           Time
      245045000   490090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63104e+03    1.80732e+04    1.22851e+04    1.03709e+03   -2.87004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45139e+03    1.03894e+05    2.81654e+05   -1.71830e+04   -2.15777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19751e+04   -1.73682e+06    3.46797e+05   -1.39002e+06    5.99521e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11237e+02   -2.11836e+02   -5.66283e+01    3.53890e-06

           Step           Time
      245050000   490100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45103e+03    1.77782e+04    1.23861e+04    1.08060e+03   -2.81376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55600e+03    1.03849e+05    2.79081e+05   -1.72313e+04   -2.15690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17843e+04   -1.73898e+06    3.44706e+05   -1.39427e+06    5.99389e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09360e+02   -2.13029e+02   -8.83328e+01    3.47526e-06

           Step           Time
      245055000   490110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52271e+03    1.83465e+04    1.23535e+04    1.08253e+03   -2.79842e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59946e+03    1.04025e+05    2.80020e+05   -1.71923e+04   -2.15376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21435e+04   -1.73366e+06    3.47450e+05   -1.38621e+06    5.99884e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11823e+02   -2.12066e+02    3.77020e+01    3.47798e-06

           Step           Time
      245060000   490120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59395e+03    1.81336e+04    1.24366e+04    1.10381e+03   -2.73740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48797e+03    1.03813e+05    2.82771e+05   -1.71858e+04   -2.15790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17966e+04   -1.73569e+06    3.46886e+05   -1.38880e+06    6.00111e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11317e+02   -2.11905e+02    5.11486e+01    3.51360e-06

           Step           Time
      245065000   490130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53314e+03    1.82512e+04    1.22534e+04    1.09998e+03   -2.73416e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36622e+03    1.04035e+05    2.82336e+05   -1.71990e+04   -2.15809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18748e+04   -1.73627e+06    3.46501e+05   -1.38977e+06    6.00254e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10972e+02   -2.12230e+02    1.01069e+02    3.47345e-06

           Step           Time
      245070000   490140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70427e+03    1.78511e+04    1.21660e+04    1.11769e+03   -2.72977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45529e+03    1.04282e+05    2.81451e+05   -1.71640e+04   -2.15507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21842e+04   -1.73376e+06    3.47538e+05   -1.38622e+06    6.00641e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11902e+02   -2.11368e+02   -2.16550e+01    3.48426e-06

           Step           Time
      245075000   490150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44910e+03    1.82766e+04    1.23316e+04    1.09162e+03   -2.78378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44139e+03    1.03951e+05    2.83253e+05   -1.71846e+04   -2.15708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20036e+04   -1.73425e+06    3.48269e+05   -1.38598e+06    6.00555e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12558e+02   -2.11875e+02    9.31337e+01    3.65413e-06

           Step           Time
      245080000   490160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53253e+03    1.80267e+04    1.23242e+04    1.00923e+03   -2.77512e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50717e+03    1.04441e+05    2.81248e+05   -1.72149e+04   -2.15836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19078e+04   -1.73735e+06    3.46440e+05   -1.39091e+06    6.00918e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10917e+02   -2.12623e+02    1.71118e+01    3.57097e-06

           Step           Time
      245085000   490170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60965e+03    1.79892e+04    1.22500e+04    1.19383e+03   -2.95307e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45625e+03    1.04304e+05    2.81299e+05   -1.71943e+04   -2.15415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21308e+04   -1.73306e+06    3.47366e+05   -1.38569e+06    6.01740e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11748e+02   -2.12116e+02    2.03203e+01    3.63972e-06

           Step           Time
      245090000   490180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46548e+03    1.81471e+04    1.22790e+04    1.04870e+03   -2.75105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45151e+03    1.04375e+05    2.79876e+05   -1.72090e+04   -2.15499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18402e+04   -1.73547e+06    3.45101e+05   -1.39037e+06    6.01925e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09715e+02   -2.12478e+02   -8.82877e+00    3.60630e-06

           Step           Time
      245095000   490190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76323e+03    1.83696e+04    1.23139e+04    1.06473e+03   -2.73661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41433e+03    1.04180e+05    2.79741e+05   -1.71845e+04   -2.15514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19293e+04   -1.73529e+06    3.46220e+05   -1.38907e+06    6.02050e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10719e+02   -2.11873e+02   -1.22938e+02    3.45277e-06

           Step           Time
      245100000   490200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74898e+03    1.78541e+04    1.23016e+04    1.12943e+03   -2.86509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48961e+03    1.04420e+05    2.80995e+05   -1.71851e+04   -2.15618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20894e+04   -1.73520e+06    3.46072e+05   -1.38913e+06    6.02268e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10586e+02   -2.11888e+02   -4.42550e+01    3.47800e-06

           Step           Time
      245105000   490210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55958e+03    1.85354e+04    1.23662e+04    1.12751e+03   -2.77490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62679e+03    1.04362e+05    2.79403e+05   -1.71357e+04   -2.15053e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20802e+04   -1.73038e+06    3.48095e+05   -1.38229e+06    6.02681e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12402e+02   -2.10672e+02   -4.65652e+01    3.51448e-06

           Step           Time
      245110000   490220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40146e+03    1.80523e+04    1.21666e+04    1.07613e+03   -2.71090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55199e+03    1.04252e+05    2.81967e+05   -1.71925e+04   -2.15995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18736e+04   -1.73851e+06    3.45909e+05   -1.39260e+06    6.02869e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10440e+02   -2.12069e+02    8.85711e+00    3.37574e-06

           Step           Time
      245115000   490230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62344e+03    1.82936e+04    1.24687e+04    1.12759e+03   -2.75343e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51771e+03    1.04299e+05    2.80593e+05   -1.71546e+04   -2.15616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19379e+04   -1.73520e+06    3.47845e+05   -1.38736e+06    6.03168e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12177e+02   -2.11137e+02   -3.25817e+01    3.64587e-06

           Step           Time
      245120000   490240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56847e+03    1.81387e+04    1.22356e+04    1.00913e+03   -2.85315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49600e+03    1.04120e+05    2.80384e+05   -1.71545e+04   -2.15636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18070e+04   -1.73661e+06    3.45233e+05   -1.39138e+06    6.03060e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09833e+02   -2.11136e+02   -5.28874e+01    3.45246e-06

           Step           Time
      245125000   490250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30142e+03    1.78897e+04    1.24191e+04    1.07957e+03   -2.79066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55389e+03    1.04289e+05    2.81369e+05   -1.71523e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19896e+04   -1.73629e+06    3.46789e+05   -1.38950e+06    6.03420e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11230e+02   -2.11082e+02   -7.74590e-03    3.52896e-06

           Step           Time
      245130000   490260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57727e+03    1.80704e+04    1.23523e+04    1.04009e+03   -2.82303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55320e+03    1.04063e+05    2.79759e+05   -1.72093e+04   -2.15528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19908e+04   -1.73590e+06    3.44997e+05   -1.39090e+06    6.03691e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09621e+02   -2.12485e+02   -4.71662e+01    3.44069e-06

           Step           Time
      245135000   490270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44874e+03    1.82442e+04    1.23733e+04    1.12913e+03   -2.86867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42315e+03    1.04495e+05    2.82627e+05   -1.72008e+04   -2.15823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21615e+04   -1.73540e+06    3.44752e+05   -1.39065e+06    6.04020e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09402e+02   -2.12274e+02    8.55505e+01    3.36171e-06

           Step           Time
      245140000   490280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46937e+03    1.81890e+04    1.23136e+04    1.11573e+03   -2.79323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57872e+03    1.04080e+05    2.79283e+05   -1.71858e+04   -2.15162e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19908e+04   -1.73258e+06    3.45628e+05   -1.38695e+06    6.04218e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10187e+02   -2.11905e+02    9.31069e+00    3.48489e-06

           Step           Time
      245145000   490290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61305e+03    1.80999e+04    1.23948e+04    1.11687e+03   -2.86116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38393e+03    1.04058e+05    2.78151e+05   -1.71629e+04   -2.15214e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19281e+04   -1.73442e+06    3.45713e+05   -1.38870e+06    6.04442e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10264e+02   -2.11341e+02   -1.71183e+02    3.52230e-06

           Step           Time
      245150000   490300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74423e+03    1.83984e+04    1.22767e+04    1.11323e+03   -2.82655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45670e+03    1.04541e+05    2.81480e+05   -1.71695e+04   -2.15507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20972e+04   -1.73295e+06    3.46229e+05   -1.38673e+06    6.05135e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10727e+02   -2.11505e+02   -1.74508e+01    3.37463e-06

           Step           Time
      245155000   490310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72872e+03    1.84870e+04    1.22369e+04    1.14837e+03   -2.84665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36590e+03    1.03673e+05    2.81028e+05   -1.72397e+04   -2.15607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20900e+04   -1.73540e+06    3.44974e+05   -1.39043e+06    6.05255e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09601e+02   -2.13235e+02    1.76958e+01    3.46701e-06

           Step           Time
      245160000   490320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67540e+03    1.75860e+04    1.24095e+04    1.08015e+03   -2.92053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58333e+03    1.03960e+05    2.77527e+05   -1.71740e+04   -2.15453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18642e+04   -1.73794e+06    3.46149e+05   -1.39179e+06    6.05049e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10656e+02   -2.11616e+02   -2.30540e+02    3.48310e-06

           Step           Time
      245165000   490330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51070e+03    1.80251e+04    1.24300e+04    1.02414e+03   -2.95747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58430e+03    1.04487e+05    2.82111e+05   -1.72088e+04   -2.15755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19846e+04   -1.73556e+06    3.46177e+05   -1.38938e+06    6.05419e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10681e+02   -2.12472e+02    3.20259e+01    3.62131e-06

           Step           Time
      245170000   490340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57338e+03    1.82223e+04    1.22793e+04    1.08575e+03   -2.85706e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49920e+03    1.04049e+05    2.81648e+05   -1.72389e+04   -2.15731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20195e+04   -1.73603e+06    3.46610e+05   -1.38942e+06    6.05878e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11069e+02   -2.13215e+02    3.56419e+01    3.46066e-06

           Step           Time
      245175000   490350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59041e+03    1.86535e+04    1.23766e+04    1.12120e+03   -2.86724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61031e+03    1.03883e+05    2.80527e+05   -1.72048e+04   -2.15266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20031e+04   -1.73197e+06    3.47163e+05   -1.38481e+06    6.06250e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11566e+02   -2.12374e+02    1.02322e+02    3.68988e-06

           Step           Time
      245180000   490360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30918e+03    1.78531e+04    1.21409e+04    1.10336e+03   -2.82838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.30086e+03    1.04347e+05    2.83179e+05   -1.71751e+04   -2.15866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19068e+04   -1.73653e+06    3.46679e+05   -1.38985e+06    6.05769e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11131e+02   -2.11642e+02    3.60547e+01    3.54922e-06

Writing checkpoint, step 245184400 at Sat Dec  2 03:08:07 2023


           Step           Time
      245185000   490370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37118e+03    1.80645e+04    1.22008e+04    1.09216e+03   -2.78131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52865e+03    1.04620e+05    2.79385e+05   -1.71712e+04   -2.15506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19979e+04   -1.73576e+06    3.46377e+05   -1.38938e+06    6.05771e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10859e+02   -2.11546e+02   -7.35076e+01    3.75096e-06

           Step           Time
      245190000   490380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60338e+03    1.81873e+04    1.22962e+04    9.74721e+02   -2.65668e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37901e+03    1.04106e+05    2.77690e+05   -1.71808e+04   -2.15176e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18927e+04   -1.73446e+06    3.45062e+05   -1.38940e+06    6.06214e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09680e+02   -2.11783e+02   -2.00349e+02    3.44251e-06

           Step           Time
      245195000   490390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57233e+03    1.82802e+04    1.24873e+04    1.04032e+03   -2.88595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50018e+03    1.04017e+05    2.85024e+05   -1.71849e+04   -2.16054e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20836e+04   -1.73561e+06    3.45117e+05   -1.39049e+06    6.06610e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09729e+02   -2.11884e+02    1.49025e+02    3.59635e-06

           Step           Time
      245200000   490400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32913e+03    1.81180e+04    1.23961e+04    1.17048e+03   -2.84789e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53665e+03    1.03897e+05    2.82718e+05   -1.71962e+04   -2.15928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20323e+04   -1.73713e+06    3.45645e+05   -1.39148e+06    6.07004e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10203e+02   -2.12160e+02    9.09328e+01    3.63028e-06

           Step           Time
      245205000   490410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65586e+03    1.81234e+04    1.23521e+04    1.10439e+03   -2.85633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57240e+03    1.04090e+05    2.79984e+05   -1.71651e+04   -2.15336e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19135e+04   -1.73359e+06    3.44459e+05   -1.38913e+06    6.07174e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09139e+02   -2.11397e+02   -4.91945e+01    3.33589e-06

           Step           Time
      245210000   490420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55959e+03    1.80811e+04    1.24598e+04    1.15547e+03   -2.85690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37866e+03    1.03915e+05    2.79957e+05   -1.71676e+04   -2.15445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19620e+04   -1.73501e+06    3.47449e+05   -1.38756e+06    6.07229e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11822e+02   -2.11458e+02   -5.52524e+01    3.58634e-06

           Step           Time
      245215000   490430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63218e+03    1.90322e+04    1.23906e+04    1.09583e+03   -2.88067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41446e+03    1.03615e+05    2.78770e+05   -1.71555e+04   -2.15219e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20808e+04   -1.73320e+06    3.46759e+05   -1.38644e+06    6.07836e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11202e+02   -2.11160e+02   -1.37492e+02    3.63012e-06

           Step           Time
      245220000   490440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33401e+03    1.85677e+04    1.23242e+04    1.12137e+03   -2.88942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38364e+03    1.04248e+05    2.81097e+05   -1.71815e+04   -2.15688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20462e+04   -1.73583e+06    3.45774e+05   -1.39005e+06    6.07689e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10319e+02   -2.11800e+02   -6.14723e+00    3.65292e-06

           Step           Time
      245225000   490450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47715e+03    1.84524e+04    1.22015e+04    1.08400e+03   -2.79768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58379e+03    1.03496e+05    2.80975e+05   -1.71773e+04   -2.15612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17923e+04   -1.73603e+06    3.44867e+05   -1.39116e+06    6.07971e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09504e+02   -2.11696e+02   -5.26939e+01    3.44091e-06

           Step           Time
      245230000   490460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48433e+03    1.81774e+04    1.24454e+04    1.15008e+03   -2.79813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49795e+03    1.03678e+05    2.79983e+05   -1.71814e+04   -2.15436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19651e+04   -1.73495e+06    3.47203e+05   -1.38775e+06    6.07902e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11601e+02   -2.11798e+02   -1.61423e+01    3.60921e-06

           Step           Time
      245235000   490470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65406e+03    1.84421e+04    1.22868e+04    9.26779e+02   -2.79992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43387e+03    1.03870e+05    2.82595e+05   -1.72108e+04   -2.15560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21047e+04   -1.73330e+06    3.47172e+05   -1.38613e+06    6.08699e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11574e+02   -2.12523e+02    1.27907e+02    3.43160e-06

           Step           Time
      245240000   490480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51171e+03    1.85345e+04    1.22749e+04    1.11427e+03   -2.77114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47865e+03    1.04166e+05    2.81946e+05   -1.71568e+04   -2.15724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19797e+04   -1.73516e+06    3.47081e+05   -1.38808e+06    6.08619e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11492e+02   -2.11193e+02    4.29167e+01    3.44338e-06

           Step           Time
      245245000   490490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49307e+03    1.82760e+04    1.22019e+04    1.00034e+03   -2.78608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60307e+03    1.04222e+05    2.78362e+05   -1.72123e+04   -2.15260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20668e+04   -1.73437e+06    3.45685e+05   -1.38869e+06    6.08839e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10238e+02   -2.12559e+02   -3.98830e+01    3.62914e-06

           Step           Time
      245250000   490500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25331e+03    1.81660e+04    1.22161e+04    1.08467e+03   -2.90482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63677e+03    1.04148e+05    2.79592e+05   -1.71957e+04   -2.15445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19341e+04   -1.73552e+06    3.47037e+05   -1.38848e+06    6.08959e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11452e+02   -2.12148e+02   -1.46211e+01    3.40279e-06

           Step           Time
      245255000   490510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39455e+03    1.83054e+04    1.24190e+04    1.07593e+03   -2.85848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44016e+03    1.03920e+05    2.80365e+05   -1.71340e+04   -2.15337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22057e+04   -1.73323e+06    3.47285e+05   -1.38595e+06    6.09058e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11675e+02   -2.10630e+02   -3.22847e+01    3.68256e-06

           Step           Time
      245260000   490520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64051e+03    1.78859e+04    1.24509e+04    1.12643e+03   -2.76576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39210e+03    1.04260e+05    2.82762e+05   -1.71985e+04   -2.15731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20589e+04   -1.73470e+06    3.45962e+05   -1.38874e+06    6.09334e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10488e+02   -2.12218e+02    7.32427e+01    3.60478e-06

           Step           Time
      245265000   490530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48336e+03    1.78725e+04    1.21742e+04    1.08867e+03   -2.85934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59086e+03    1.04233e+05    2.79717e+05   -1.71784e+04   -2.15466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17279e+04   -1.73581e+06    3.46483e+05   -1.38932e+06    6.09726e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10955e+02   -2.11724e+02   -8.45583e+01    3.53808e-06

           Step           Time
      245270000   490540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64440e+03    1.79266e+04    1.21805e+04    1.03186e+03   -2.80147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48929e+03    1.04138e+05    2.79649e+05   -1.72025e+04   -2.15464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19056e+04   -1.73568e+06    3.44765e+05   -1.39091e+06    6.09706e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09413e+02   -2.12317e+02   -7.68753e+01    3.43761e-06

           Step           Time
      245275000   490550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47794e+03    1.77435e+04    1.21132e+04    1.06297e+03   -2.70084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57839e+03    1.04170e+05    2.80647e+05   -1.72075e+04   -2.15604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20328e+04   -1.73613e+06    3.47056e+05   -1.38907e+06    6.10212e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11469e+02   -2.12439e+02    3.94935e+01    3.51077e-06

           Step           Time
      245280000   490560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76467e+03    1.82309e+04    1.23807e+04    1.08329e+03   -2.88510e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56388e+03    1.03874e+05    2.81038e+05   -1.71998e+04   -2.15766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18995e+04   -1.73691e+06    3.46469e+05   -1.39044e+06    6.10922e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10943e+02   -2.12250e+02   -2.91788e+01    3.55462e-06

           Step           Time
      245285000   490570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48361e+03    1.85210e+04    1.22846e+04    1.04391e+03   -2.77737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51526e+03    1.04251e+05    2.81345e+05   -1.72093e+04   -2.15481e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18685e+04   -1.73348e+06    3.45430e+05   -1.38805e+06    6.11336e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10010e+02   -2.12486e+02    5.52428e+01    3.39093e-06

           Step           Time
      245290000   490580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49478e+03    1.81539e+04    1.23430e+04    1.10557e+03   -2.71411e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53506e+03    1.03849e+05    2.79096e+05   -1.71585e+04   -2.15494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19194e+04   -1.73632e+06    3.47410e+05   -1.38891e+06    6.11228e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11787e+02   -2.11235e+02   -1.31017e+02    3.60985e-06

           Step           Time
      245295000   490590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59428e+03    1.84877e+04    1.22731e+04    1.04015e+03   -2.68348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39876e+03    1.03616e+05    2.82350e+05   -1.72065e+04   -2.15613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18734e+04   -1.73439e+06    3.45957e+05   -1.38843e+06    6.11899e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10483e+02   -2.12414e+02    1.95161e+00    3.66624e-06

           Step           Time
      245300000   490600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54962e+03    1.84136e+04    1.22968e+04    1.09600e+03   -2.78497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44259e+03    1.03546e+05    2.80223e+05   -1.72202e+04   -2.15681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19900e+04   -1.73725e+06    3.47436e+05   -1.38982e+06    6.11838e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11811e+02   -2.12752e+02   -1.73691e+01    3.67868e-06

           Step           Time
      245305000   490610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.11707e+03    1.81803e+04    1.23638e+04    1.07334e+03   -2.87914e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52765e+03    1.04227e+05    2.81019e+05   -1.72042e+04   -2.15777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18937e+04   -1.73745e+06    3.46068e+05   -1.39138e+06    6.11898e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10583e+02   -2.12359e+02    2.02796e+00    3.55533e-06

           Step           Time
      245310000   490620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65501e+03    1.81942e+04    1.22535e+04    1.12361e+03   -2.80738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46206e+03    1.04173e+05    2.79219e+05   -1.71640e+04   -2.15110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19111e+04   -1.73208e+06    3.45553e+05   -1.38653e+06    6.12858e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10120e+02   -2.11368e+02   -4.74980e+01    3.53663e-06

           Step           Time
      245315000   490630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52329e+03    1.81102e+04    1.23037e+04    1.05983e+03   -2.88255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59402e+03    1.04426e+05    2.81370e+05   -1.72001e+04   -2.15611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19367e+04   -1.73487e+06    3.47057e+05   -1.38782e+06    6.12914e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11470e+02   -2.12259e+02    8.23448e+01    3.44025e-06

           Step           Time
      245320000   490640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35214e+03    1.84734e+04    1.22374e+04    1.06213e+03   -2.85122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56495e+03    1.03660e+05    2.81730e+05   -1.71695e+04   -2.15771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19835e+04   -1.73667e+06    3.48095e+05   -1.38858e+06    6.13016e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12402e+02   -2.11503e+02    1.77642e+01    3.48912e-06

           Step           Time
      245325000   490650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32333e+03    1.81687e+04    1.24550e+04    1.02927e+03   -2.80556e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53121e+03    1.04442e+05    2.80197e+05   -1.71358e+04   -2.15426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21417e+04   -1.73391e+06    3.47644e+05   -1.38627e+06    6.13078e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11997e+02   -2.10675e+02    1.28369e+01    3.60684e-06

           Step           Time
      245330000   490660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64466e+03    1.82853e+04    1.21289e+04    1.07488e+03   -2.70240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49225e+03    1.04154e+05    2.81635e+05   -1.72005e+04   -2.15651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20225e+04   -1.73498e+06    3.46790e+05   -1.38819e+06    6.13576e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11231e+02   -2.12267e+02    6.89377e+01    3.51189e-06

           Step           Time
      245335000   490670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48432e+03    1.80452e+04    1.24044e+04    9.98171e+02   -2.78047e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39965e+03    1.04407e+05    2.80016e+05   -1.71860e+04   -2.15459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20233e+04   -1.73478e+06    3.46312e+05   -1.38847e+06    6.13550e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10801e+02   -2.11910e+02   -4.34864e+01    3.47388e-06

           Step           Time
      245340000   490680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37694e+03    1.79359e+04    1.23210e+04    1.06383e+03   -2.90798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43156e+03    1.04577e+05    2.80470e+05   -1.72014e+04   -2.15445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19550e+04   -1.73443e+06    3.44794e+05   -1.38963e+06    6.13724e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09439e+02   -2.12290e+02   -4.41536e+00    3.73065e-06

           Step           Time
      245345000   490690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57206e+03    1.80173e+04    1.24117e+04    1.10818e+03   -2.87341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51400e+03    1.04118e+05    2.82145e+05   -1.71873e+04   -2.15679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22320e+04   -1.73473e+06    3.45267e+05   -1.38946e+06    6.14462e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09864e+02   -2.11942e+02    1.06979e+01    3.48983e-06

           Step           Time
      245350000   490700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74762e+03    1.81630e+04    1.22719e+04    1.08003e+03   -2.82674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51036e+03    1.03988e+05    2.78921e+05   -1.71720e+04   -2.15201e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20612e+04   -1.73327e+06    3.46346e+05   -1.38692e+06    6.14672e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10832e+02   -2.11566e+02   -6.51826e+01    3.58275e-06

           Step           Time
      245355000   490710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41868e+03    1.83441e+04    1.23962e+04    1.12333e+03   -2.85743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48728e+03    1.03298e+05    2.79414e+05   -1.72212e+04   -2.15348e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19595e+04   -1.73511e+06    3.46668e+05   -1.38845e+06    6.14539e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11121e+02   -2.12779e+02   -1.30875e+01    3.64529e-06

           Step           Time
      245360000   490720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52128e+03    1.81974e+04    1.23521e+04    1.03122e+03   -2.91284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64936e+03    1.04083e+05    2.80691e+05   -1.72162e+04   -2.15614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19849e+04   -1.73576e+06    3.47864e+05   -1.38790e+06    6.15026e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12194e+02   -2.12654e+02    3.21557e+01    3.42371e-06

           Step           Time
      245365000   490730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.14281e+03    1.81078e+04    1.22310e+04    1.10142e+03   -2.70889e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52597e+03    1.04063e+05    2.79145e+05   -1.71639e+04   -2.15338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21260e+04   -1.73481e+06    3.47215e+05   -1.38760e+06    6.15104e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11612e+02   -2.11366e+02   -9.96642e+01    3.62332e-06

           Step           Time
      245370000   490740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49620e+03    1.84941e+04    1.24800e+04    1.05487e+03   -2.81855e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52040e+03    1.04120e+05    2.84748e+05   -1.72138e+04   -2.16037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20970e+04   -1.73539e+06    3.48703e+05   -1.38669e+06    6.15605e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12947e+02   -2.12596e+02    1.29388e+02    3.49206e-06

           Step           Time
      245375000   490750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47192e+03    1.82766e+04    1.23543e+04    1.13691e+03   -2.78228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44663e+03    1.04149e+05    2.79432e+05   -1.71483e+04   -2.15379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19172e+04   -1.73453e+06    3.47536e+05   -1.38700e+06    6.15938e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11900e+02   -2.10982e+02   -8.08809e+01    3.51204e-06

           Step           Time
      245380000   490760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54057e+03    1.82435e+04    1.24072e+04    1.11322e+03   -2.84498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47197e+03    1.04182e+05    2.78625e+05   -1.71339e+04   -2.15322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18669e+04   -1.73475e+06    3.46281e+05   -1.38847e+06    6.16025e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10774e+02   -2.10630e+02   -1.39930e+02    3.50610e-06

           Step           Time
      245385000   490770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49543e+03    1.81601e+04    1.24078e+04    1.09290e+03   -2.87844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55449e+03    1.03905e+05    2.82869e+05   -1.71819e+04   -2.15661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19800e+04   -1.73421e+06    3.47655e+05   -1.38656e+06    6.16400e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12007e+02   -2.11809e+02    9.82749e+01    3.51751e-06

           Step           Time
      245390000   490780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30122e+03    1.82287e+04    1.23592e+04    1.00454e+03   -2.80258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50627e+03    1.04033e+05    2.79272e+05   -1.71980e+04   -2.15350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20761e+04   -1.73472e+06    3.48772e+05   -1.38594e+06    6.15938e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13009e+02   -2.12206e+02    8.85875e+00    3.79313e-06

           Step           Time
      245395000   490790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56430e+03    1.78987e+04    1.22559e+04    1.06377e+03   -2.65368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38105e+03    1.03659e+05    2.83395e+05   -1.71853e+04   -2.15908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21145e+04   -1.73659e+06    3.45094e+05   -1.39149e+06    6.17301e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09708e+02   -2.11894e+02    3.49846e+01    3.63517e-06

           Step           Time
      245400000   490800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54513e+03    1.81870e+04    1.23148e+04    1.06906e+03   -2.71485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50568e+03    1.04169e+05    2.81005e+05   -1.71878e+04   -2.15370e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19778e+04   -1.73283e+06    3.48095e+05   -1.38473e+06    6.17038e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12402e+02   -2.11956e+02    5.00690e+01    3.62398e-06

           Step           Time
      245405000   490810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63685e+03    1.83562e+04    1.23715e+04    1.05518e+03   -2.81363e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59128e+03    1.03922e+05    2.80005e+05   -1.71587e+04   -2.15370e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20988e+04   -1.73364e+06    3.46543e+05   -1.38709e+06    6.17828e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11009e+02   -2.11238e+02   -5.85068e+01    3.57525e-06

           Step           Time
      245410000   490820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78035e+03    1.82253e+04    1.24069e+04    1.10146e+03   -2.82935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42760e+03    1.03858e+05    2.82392e+05   -1.72092e+04   -2.15544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21718e+04   -1.73311e+06    3.45754e+05   -1.38736e+06    6.17826e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10301e+02   -2.12483e+02    7.25456e+01    3.35052e-06

           Step           Time
      245415000   490830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51699e+03    1.83454e+04    1.22948e+04    1.07432e+03   -2.78045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41380e+03    1.04125e+05    2.78461e+05   -1.72272e+04   -2.15393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19991e+04   -1.73571e+06    3.47593e+05   -1.38811e+06    6.17668e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11951e+02   -2.12928e+02   -6.00522e+01    3.57496e-06

           Step           Time
      245420000   490840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57380e+03    1.82199e+04    1.24943e+04    1.14906e+03   -2.85142e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62957e+03    1.04456e+05    2.80878e+05   -1.71771e+04   -2.15515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19161e+04   -1.73386e+06    3.45518e+05   -1.38834e+06    6.18526e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10089e+02   -2.11691e+02   -7.00927e+00    3.52214e-06

           Step           Time
      245425000   490850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63055e+03    1.87107e+04    1.22724e+04    1.07950e+03   -2.78743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43798e+03    1.04112e+05    2.80735e+05   -1.72392e+04   -2.15485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18860e+04   -1.73401e+06    3.47851e+05   -1.38616e+06    6.18691e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12183e+02   -2.13222e+02    1.11615e+02    3.38507e-06

           Step           Time
      245430000   490860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57196e+03    1.84284e+04    1.23670e+04    1.10094e+03   -2.84278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58235e+03    1.04582e+05    2.80505e+05   -1.72155e+04   -2.15308e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20055e+04   -1.73199e+06    3.47070e+05   -1.38492e+06    6.19259e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11482e+02   -2.12638e+02   -2.32659e+00    3.54546e-06

           Step           Time
      245435000   490870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55611e+03    1.82711e+04    1.24749e+04    1.04656e+03   -2.90486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51043e+03    1.04310e+05    2.80372e+05   -1.71542e+04   -2.15332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21605e+04   -1.73268e+06    3.45019e+05   -1.38766e+06    6.19474e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09641e+02   -2.11128e+02    3.25437e+01    3.53783e-06

           Step           Time
      245440000   490880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45922e+03    1.85355e+04    1.22914e+04    1.03080e+03   -2.89565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48831e+03    1.04018e+05    2.83816e+05   -1.72102e+04   -2.15824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20727e+04   -1.73463e+06    3.47746e+05   -1.38688e+06    6.19914e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12088e+02   -2.12506e+02    1.42879e+02    3.59768e-06

           Step           Time
      245445000   490890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52119e+03    1.85263e+04    1.25041e+04    1.15405e+03   -2.90150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44249e+03    1.03973e+05    2.80355e+05   -1.71546e+04   -2.15315e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19347e+04   -1.73279e+06    3.46166e+05   -1.38663e+06    6.20016e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10670e+02   -2.11136e+02    3.41181e+01    3.60817e-06

           Step           Time
      245450000   490900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54949e+03    1.84787e+04    1.23515e+04    1.11839e+03   -2.93025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49464e+03    1.03845e+05    2.82300e+05   -1.72305e+04   -2.15789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20328e+04   -1.73588e+06    3.45674e+05   -1.39021e+06    6.20649e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10229e+02   -2.13008e+02    8.48416e+01    3.55414e-06

           Step           Time
      245455000   490910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43422e+03    1.84009e+04    1.24552e+04    1.13839e+03   -2.81668e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43125e+03    1.04457e+05    2.79751e+05   -1.71854e+04   -2.15282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19505e+04   -1.73280e+06    3.49146e+05   -1.38366e+06    6.20626e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13345e+02   -2.11896e+02   -5.89514e+00    3.68397e-06

           Step           Time
      245460000   490920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45310e+03    1.85934e+04    1.22328e+04    1.11458e+03   -2.85995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42219e+03    1.04150e+05    2.79913e+05   -1.71991e+04   -2.15351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19777e+04   -1.73371e+06    3.47562e+05   -1.38615e+06    6.20566e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11924e+02   -2.12233e+02   -6.50439e+01    3.59047e-06

           Step           Time
      245465000   490930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62046e+03    1.84346e+04    1.22710e+04    1.01316e+03   -2.91096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53911e+03    1.04172e+05    2.80447e+05   -1.72192e+04   -2.15452e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20038e+04   -1.73415e+06    3.46149e+05   -1.38800e+06    6.20952e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10655e+02   -2.12729e+02    2.75454e+01    3.56006e-06

           Step           Time
      245470000   490940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49270e+03    1.89000e+04    1.23971e+04    1.12623e+03   -2.96292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50323e+03    1.03920e+05    2.81231e+05   -1.72039e+04   -2.15599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20157e+04   -1.73457e+06    3.48047e+05   -1.38652e+06    6.20885e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12358e+02   -2.12351e+02    1.60738e+01    3.53711e-06

           Step           Time
      245475000   490950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43644e+03    1.76484e+04    1.22159e+04    1.07671e+03   -2.87794e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70697e+03    1.04353e+05    2.80837e+05   -1.71702e+04   -2.15683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19706e+04   -1.73664e+06    3.46263e+05   -1.39037e+06    6.21369e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10758e+02   -2.11520e+02   -3.74012e+01    3.51123e-06

           Step           Time
      245480000   490960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60544e+03    1.82285e+04    1.21373e+04    1.11336e+03   -2.77880e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45254e+03    1.04048e+05    2.80876e+05   -1.72082e+04   -2.15529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21146e+04   -1.73471e+06    3.46819e+05   -1.38789e+06    6.21441e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11257e+02   -2.12457e+02    1.83010e+01    3.56430e-06

           Step           Time
      245485000   490970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56553e+03    1.80198e+04    1.23420e+04    1.04722e+03   -2.83154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50712e+03    1.04225e+05    2.78490e+05   -1.71931e+04   -2.15463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19748e+04   -1.73648e+06    3.45157e+05   -1.39133e+06    6.21740e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09765e+02   -2.12086e+02   -1.20781e+02    3.48417e-06

           Step           Time
      245490000   490980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63680e+03    1.82178e+04    1.25568e+04    1.10933e+03   -2.91427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42326e+03    1.04127e+05    2.81034e+05   -1.72191e+04   -2.15482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18479e+04   -1.73400e+06    3.47731e+05   -1.38627e+06    6.21694e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12075e+02   -2.12725e+02    1.28672e+01    3.59336e-06

           Step           Time
      245495000   490990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46968e+03    1.81479e+04    1.22931e+04    1.04734e+03   -2.83692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42972e+03    1.03851e+05    2.80550e+05   -1.71920e+04   -2.15519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19712e+04   -1.73546e+06    3.45089e+05   -1.39037e+06    6.22215e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09704e+02   -2.12058e+02    3.61473e+01    3.41793e-06

           Step           Time
      245500000   491000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58869e+03    1.87450e+04    1.24000e+04    1.09663e+03   -2.95932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45629e+03    1.03958e+05    2.79380e+05   -1.71680e+04   -2.15070e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20741e+04   -1.73113e+06    3.47750e+05   -1.38338e+06    6.22562e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12093e+02   -2.11468e+02    4.93422e+01    3.50447e-06

           Step           Time
      245505000   491010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41824e+03    1.84677e+04    1.22992e+04    1.11677e+03   -2.87414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40622e+03    1.04164e+05    2.80943e+05   -1.72052e+04   -2.15459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18279e+04   -1.73403e+06    3.44754e+05   -1.38928e+06    6.23508e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09403e+02   -2.12383e+02    6.88362e+00    3.50791e-06

           Step           Time
      245510000   491020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44663e+03    1.77643e+04    1.24793e+04    1.16233e+03   -2.95088e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46750e+03    1.03845e+05    2.79014e+05   -1.71714e+04   -2.15232e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19642e+04   -1.73430e+06    3.46174e+05   -1.38813e+06    6.22929e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10677e+02   -2.11552e+02   -6.85124e+01    3.57385e-06

           Step           Time
      245515000   491030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69142e+03    1.81245e+04    1.23625e+04    1.07832e+03   -2.95112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53281e+03    1.03455e+05    2.80046e+05   -1.71645e+04   -2.15435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20089e+04   -1.73516e+06    3.48934e+05   -1.38623e+06    6.23395e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13155e+02   -2.11380e+02   -1.76982e+01    3.45480e-06

           Step           Time
      245520000   491040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68769e+03    1.86510e+04    1.23376e+04    1.10543e+03   -2.95011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33852e+03    1.03918e+05    2.79451e+05   -1.71996e+04   -2.15456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19834e+04   -1.73524e+06    3.47400e+05   -1.38784e+06    6.23654e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11778e+02   -2.12246e+02   -9.97139e+01    3.51509e-06

           Step           Time
      245525000   491050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32231e+03    1.82245e+04    1.23986e+04    1.06175e+03   -2.84322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43834e+03    1.04042e+05    2.79596e+05   -1.72011e+04   -2.15366e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19956e+04   -1.73463e+06    3.46852e+05   -1.38778e+06    6.23955e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11286e+02   -2.12283e+02    1.50166e+01    3.53328e-06

           Step           Time
      245530000   491060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40031e+03    1.77955e+04    1.24078e+04    1.12561e+03   -2.81452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56018e+03    1.04550e+05    2.82017e+05   -1.72147e+04   -2.15918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19415e+04   -1.73741e+06    3.45990e+05   -1.39142e+06    6.24225e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10513e+02   -2.12617e+02    3.94155e+01    3.44505e-06

           Step           Time
      245535000   491070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62986e+03    1.86043e+04    1.24672e+04    1.16856e+03   -2.91848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40087e+03    1.03841e+05    2.82330e+05   -1.71867e+04   -2.15696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19916e+04   -1.73463e+06    3.45552e+05   -1.38908e+06    6.24842e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10120e+02   -2.11928e+02    6.89228e+01    3.66143e-06

           Step           Time
      245540000   491080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77734e+03    1.83982e+04    1.24519e+04    1.08512e+03   -2.89479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54919e+03    1.03562e+05    2.82011e+05   -1.71806e+04   -2.15620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20415e+04   -1.73440e+06    3.44898e+05   -1.38950e+06    6.24796e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09533e+02   -2.11778e+02    6.35325e+01    3.50373e-06

           Step           Time
      245545000   491090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69519e+03    1.79467e+04    1.23940e+04    1.06271e+03   -2.83205e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46137e+03    1.04395e+05    2.80224e+05   -1.71571e+04   -2.15467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21982e+04   -1.73429e+06    3.46887e+05   -1.38740e+06    6.24746e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11318e+02   -2.11200e+02   -5.85872e+01    3.37660e-06

           Step           Time
      245550000   491100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59654e+03    1.80324e+04    1.24524e+04    1.05314e+03   -2.88050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63774e+03    1.03398e+05    2.81149e+05   -1.71927e+04   -2.15630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19518e+04   -1.73610e+06    3.47424e+05   -1.38868e+06    6.24646e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11800e+02   -2.12074e+02    1.57120e+00    3.59146e-06

           Step           Time
      245555000   491110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69092e+03    1.79440e+04    1.23506e+04    1.04626e+03   -2.90255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53442e+03    1.03529e+05    2.81717e+05   -1.71737e+04   -2.15788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20265e+04   -1.73712e+06    3.47195e+05   -1.38992e+06    6.25319e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11594e+02   -2.11608e+02   -4.72143e+00    3.54309e-06

           Step           Time
      245560000   491120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64323e+03    1.85991e+04    1.24104e+04    1.05712e+03   -2.82635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46046e+03    1.03671e+05    2.80038e+05   -1.71578e+04   -2.15220e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19837e+04   -1.73232e+06    3.46746e+05   -1.38558e+06    6.25759e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11191e+02   -2.11216e+02   -4.44382e+00    3.69823e-06

           Step           Time
      245565000   491130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49966e+03    1.82120e+04    1.24700e+04    1.00569e+03   -2.85371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38789e+03    1.03907e+05    2.79349e+05   -1.72169e+04   -2.15373e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18880e+04   -1.73508e+06    3.46774e+05   -1.38831e+06    6.26036e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11216e+02   -2.12672e+02   -7.68303e+01    3.54643e-06

           Step           Time
      245570000   491140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63333e+03    1.79334e+04    1.24176e+04    1.07024e+03   -2.94434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47709e+03    1.04340e+05    2.80634e+05   -1.72266e+04   -2.15769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19362e+04   -1.73742e+06    3.46796e+05   -1.39062e+06    6.26029e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11236e+02   -2.12911e+02   -4.76647e+01    3.49779e-06

           Step           Time
      245575000   491150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28640e+03    1.79876e+04    1.24299e+04    1.10496e+03   -2.81667e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59128e+03    1.04369e+05    2.81339e+05   -1.72313e+04   -2.15765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20348e+04   -1.73655e+06    3.45311e+05   -1.39124e+06    6.26389e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09904e+02   -2.13028e+02    8.17663e+01    3.52881e-06

           Step           Time
      245580000   491160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21189e+03    1.81214e+04    1.23758e+04    1.02201e+03   -2.88776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61131e+03    1.03958e+05    2.82101e+05   -1.71702e+04   -2.15566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20355e+04   -1.73428e+06    3.45918e+05   -1.38836e+06    6.26442e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10448e+02   -2.11522e+02    1.15361e+02    3.40864e-06

           Step           Time
      245585000   491170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55700e+03    1.80711e+04    1.24422e+04    1.16754e+03   -2.77970e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60494e+03    1.03762e+05    2.81930e+05   -1.71793e+04   -2.15618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19894e+04   -1.73462e+06    3.46299e+05   -1.38832e+06    6.26881e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10790e+02   -2.11746e+02    6.58756e+01    3.58773e-06

           Step           Time
      245590000   491180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36454e+03    1.81527e+04    1.25606e+04    1.20498e+03   -2.85484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59984e+03    1.04395e+05    2.79899e+05   -1.71635e+04   -2.15310e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19483e+04   -1.73299e+06    3.47218e+05   -1.38577e+06    6.27499e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11615e+02   -2.11357e+02    6.28921e+01    3.54383e-06

           Step           Time
      245595000   491190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62619e+03    1.82171e+04    1.21077e+04    1.05375e+03   -2.84079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43476e+03    1.04413e+05    2.81123e+05   -1.72100e+04   -2.15768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20630e+04   -1.73669e+06    3.46597e+05   -1.39009e+06    6.27745e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11057e+02   -2.12501e+02   -2.93594e+01    3.69523e-06

           Step           Time
      245600000   491200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43021e+03    1.83027e+04    1.22965e+04    1.02048e+03   -2.79955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50006e+03    1.03982e+05    2.81000e+05   -1.71877e+04   -2.15604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19900e+04   -1.73551e+06    3.46073e+05   -1.38943e+06    6.28469e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10587e+02   -2.11953e+02   -4.45811e+01    3.44455e-06

           Step           Time
      245605000   491210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36890e+03    1.82275e+04    1.21708e+04    1.05569e+03   -2.85597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60282e+03    1.04121e+05    2.79347e+05   -1.71903e+04   -2.15306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18712e+04   -1.73434e+06    3.47149e+05   -1.38719e+06    6.28156e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11552e+02   -2.12016e+02   -4.18985e+01    3.63085e-06

           Step           Time
      245610000   491220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64413e+03    1.82821e+04    1.24022e+04    1.07392e+03   -2.83899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40547e+03    1.03879e+05    2.81140e+05   -1.71952e+04   -2.15642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20860e+04   -1.73554e+06    3.46113e+05   -1.38943e+06    6.28342e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10623e+02   -2.12138e+02   -4.56279e+00    3.50305e-06

           Step           Time
      245615000   491230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68494e+03    1.79826e+04    1.24738e+04    1.06469e+03   -2.82791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58068e+03    1.03861e+05    2.81318e+05   -1.71769e+04   -2.15631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19273e+04   -1.73542e+06    3.45665e+05   -1.38976e+06    6.28910e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10221e+02   -2.11687e+02    2.05736e+01    3.63630e-06

           Step           Time
      245620000   491240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45960e+03    1.83544e+04    1.23840e+04    1.05867e+03   -2.89692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36499e+03    1.04325e+05    2.82440e+05   -1.71978e+04   -2.15699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18102e+04   -1.73489e+06    3.46388e+05   -1.38850e+06    6.28981e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10870e+02   -2.12202e+02    6.38012e+01    3.60402e-06

           Step           Time
      245625000   491250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34754e+03    1.81529e+04    1.22918e+04    1.13648e+03   -2.79738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52024e+03    1.03805e+05    2.82523e+05   -1.72029e+04   -2.15843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19730e+04   -1.73668e+06    3.46217e+05   -1.39047e+06    6.29336e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10717e+02   -2.12327e+02    7.47978e+01    3.49618e-06

           Step           Time
      245630000   491260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92909e+03    1.82461e+04    1.23918e+04    1.00605e+03   -2.81487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36169e+03    1.03624e+05    2.79648e+05   -1.72145e+04   -2.15625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18842e+04   -1.73718e+06    3.47471e+05   -1.38971e+06    6.29655e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11841e+02   -2.12612e+02   -1.65976e+02    3.48770e-06

           Step           Time
      245635000   491270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44996e+03    1.80541e+04    1.25215e+04    1.06948e+03   -2.74084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42021e+03    1.03740e+05    2.81446e+05   -1.71880e+04   -2.16038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17490e+04   -1.73986e+06    3.47720e+05   -1.39214e+06    6.29714e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12065e+02   -2.11958e+02   -3.72858e+01    3.71297e-06

           Step           Time
      245640000   491280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34291e+03    1.80996e+04    1.22100e+04    1.05353e+03   -2.81195e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41289e+03    1.03836e+05    2.84064e+05   -1.71960e+04   -2.15846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20113e+04   -1.73544e+06    3.47301e+05   -1.38814e+06    6.29756e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11689e+02   -2.12157e+02    1.64910e+02    3.57759e-06

           Step           Time
      245645000   491290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88868e+03    1.81147e+04    1.24392e+04    1.09472e+03   -2.84346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55485e+03    1.03496e+05    2.82436e+05   -1.72078e+04   -2.15482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21578e+04   -1.73269e+06    3.47096e+05   -1.38560e+06    6.30338e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11505e+02   -2.12449e+02    1.05282e+02    3.51765e-06

           Step           Time
      245650000   491300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48275e+03    1.79751e+04    1.23160e+04    1.15135e+03   -2.87205e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37377e+03    1.03819e+05    2.82739e+05   -1.71776e+04   -2.15634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20040e+04   -1.73453e+06    3.46896e+05   -1.38763e+06    6.30674e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11326e+02   -2.11703e+02    1.16066e+02    3.66170e-06

           Step           Time
      245655000   491310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53810e+03    1.82709e+04    1.25256e+04    1.08767e+03   -2.81294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45270e+03    1.03670e+05    2.79565e+05   -1.72349e+04   -2.15459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19547e+04   -1.73558e+06    3.46478e+05   -1.38910e+06    6.31370e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10950e+02   -2.13116e+02   -2.71883e+01    3.46751e-06

           Step           Time
      245660000   491320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50917e+03    1.79689e+04    1.25965e+04    1.13061e+03   -2.87921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49478e+03    1.04016e+05    2.81302e+05   -1.72285e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18765e+04   -1.73627e+06    3.46956e+05   -1.38931e+06    6.31658e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11380e+02   -2.12960e+02    3.07001e+01    3.53318e-06

           Step           Time
      245665000   491330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24363e+03    1.85243e+04    1.23695e+04    1.02318e+03   -2.97209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56119e+03    1.04124e+05    2.81128e+05   -1.71928e+04   -2.15500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18965e+04   -1.73429e+06    3.46171e+05   -1.38812e+06    6.32244e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10675e+02   -2.12077e+02    5.86748e+01    3.60039e-06

           Step           Time
      245670000   491340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52151e+03    1.83109e+04    1.23752e+04    1.02969e+03   -2.89748e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47324e+03    1.03555e+05    2.81909e+05   -1.71840e+04   -2.15699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19382e+04   -1.73596e+06    3.45029e+05   -1.39093e+06    6.32242e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09650e+02   -2.11862e+02   -1.43903e+01    3.55952e-06

           Step           Time
      245675000   491350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55692e+03    1.83697e+04    1.23558e+04    9.99827e+02   -2.90464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38530e+03    1.03937e+05    2.80356e+05   -1.71761e+04   -2.15607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20118e+04   -1.73618e+06    3.47309e+05   -1.38887e+06    6.32434e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11696e+02   -2.11666e+02   -9.07346e+01    3.50095e-06

           Step           Time
      245680000   491360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47590e+03    1.82846e+04    1.23886e+04    1.05418e+03   -2.72259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43312e+03    1.04284e+05    2.83792e+05   -1.71831e+04   -2.15879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19032e+04   -1.73508e+06    3.47156e+05   -1.38793e+06    6.32452e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11559e+02   -2.11839e+02    1.43102e+02    3.56563e-06

           Step           Time
      245685000   491370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47255e+03    1.85863e+04    1.23245e+04    1.02127e+03   -2.93289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46465e+03    1.03844e+05    2.76416e+05   -1.71730e+04   -2.14838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22474e+04   -1.73211e+06    3.47529e+05   -1.38458e+06    6.32721e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11894e+02   -2.11591e+02   -1.30196e+02    3.44033e-06

           Step           Time
      245690000   491380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39125e+03    1.79064e+04    1.24885e+04    1.09585e+03   -2.86846e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56218e+03    1.03766e+05    2.79733e+05   -1.71737e+04   -2.15317e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19073e+04   -1.73436e+06    3.45526e+05   -1.38884e+06    6.32638e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10096e+02   -2.11608e+02    1.06666e+01    3.62559e-06

           Step           Time
      245695000   491390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44761e+03    1.84754e+04    1.23553e+04    9.84742e+02   -2.90090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38502e+03    1.04037e+05    2.82190e+05   -1.71980e+04   -2.15954e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17533e+04   -1.73801e+06    3.46991e+05   -1.39102e+06    6.33234e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11411e+02   -2.12205e+02    6.95435e+01    3.59292e-06

           Step           Time
      245700000   491400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67179e+03    1.84056e+04    1.23862e+04    1.03538e+03   -2.87606e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43767e+03    1.03896e+05    2.79890e+05   -1.71570e+04   -2.15409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19258e+04   -1.73447e+06    3.46383e+05   -1.38809e+06    6.33708e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10865e+02   -2.11198e+02   -1.17401e+02    3.48268e-06

           Step           Time
      245705000   491410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39060e+03    1.80558e+04    1.23257e+04    1.03687e+03   -2.80378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50188e+03    1.03868e+05    2.82583e+05   -1.71598e+04   -2.15863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19698e+04   -1.73686e+06    3.46444e+05   -1.39041e+06    6.33668e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10920e+02   -2.11265e+02    7.28420e+01    3.68868e-06

           Step           Time
      245710000   491420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68087e+03    1.82648e+04    1.23716e+04    1.05700e+03   -2.80633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49336e+03    1.03638e+05    2.82355e+05   -1.71594e+04   -2.15739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19331e+04   -1.73556e+06    3.47470e+05   -1.38809e+06    6.33941e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11841e+02   -2.11255e+02   -2.51916e+01    3.47548e-06

           Step           Time
      245715000   491430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64272e+03    1.81980e+04    1.22371e+04    1.12207e+03   -2.84502e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45800e+03    1.04287e+05    2.80903e+05   -1.72432e+04   -2.15596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18867e+04   -1.73531e+06    3.46398e+05   -1.38891e+06    6.34718e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10879e+02   -2.13322e+02    6.23123e+01    3.62308e-06

           Step           Time
      245720000   491440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45840e+03    1.85333e+04    1.23425e+04    1.12361e+03   -2.82304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53877e+03    1.03981e+05    2.81290e+05   -1.72100e+04   -2.15781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20262e+04   -1.73655e+06    3.47409e+05   -1.38914e+06    6.34810e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11786e+02   -2.12502e+02    5.82937e+01    3.55195e-06

           Step           Time
      245725000   491450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62897e+03    1.82073e+04    1.23067e+04    1.04382e+03   -2.89443e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53487e+03    1.03721e+05    2.78688e+05   -1.71656e+04   -2.14994e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19500e+04   -1.73192e+06    3.47464e+05   -1.38445e+06    6.34930e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11835e+02   -2.11409e+02   -5.46768e+01    3.59487e-06

           Step           Time
      245730000   491460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60515e+03    1.79319e+04    1.23705e+04    1.09282e+03   -2.87980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47967e+03    1.04288e+05    2.80747e+05   -1.72201e+04   -2.15708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18805e+04   -1.73679e+06    3.45510e+05   -1.39128e+06    6.35051e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10082e+02   -2.12752e+02   -1.65558e+01    3.47895e-06

           Step           Time
      245735000   491470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71131e+03    1.81332e+04    1.23573e+04    1.00748e+03   -2.87200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44769e+03    1.03531e+05    2.79962e+05   -1.71219e+04   -2.15519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19804e+04   -1.73605e+06    3.46059e+05   -1.38999e+06    6.35200e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10575e+02   -2.10334e+02   -1.30657e+02    3.49632e-06

           Step           Time
      245740000   491480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56866e+03    1.78359e+04    1.23071e+04    1.05025e+03   -2.81454e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59826e+03    1.03986e+05    2.80812e+05   -1.71386e+04   -2.15545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20068e+04   -1.73524e+06    3.45668e+05   -1.38957e+06    6.35795e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10224e+02   -2.10745e+02   -4.63727e+01    3.48070e-06

           Step           Time
      245745000   491490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60482e+03    1.83400e+04    1.24301e+04    1.01256e+03   -2.87544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46808e+03    1.03635e+05    2.82286e+05   -1.72054e+04   -2.15660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19193e+04   -1.73499e+06    3.44728e+05   -1.39026e+06    6.36412e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09380e+02   -2.12388e+02    1.85421e+01    3.48673e-06

           Step           Time
      245750000   491500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35385e+03    1.83799e+04    1.25540e+04    1.05035e+03   -2.89210e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51692e+03    1.04112e+05    2.80399e+05   -1.71600e+04   -2.15248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18478e+04   -1.73232e+06    3.46232e+05   -1.38609e+06    6.36456e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10730e+02   -2.11270e+02   -7.15550e+00    3.75655e-06

           Step           Time
      245755000   491510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32425e+03    1.79973e+04    1.22243e+04    9.64019e+02   -2.87480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57951e+03    1.04048e+05    2.83435e+05   -1.72195e+04   -2.15925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20144e+04   -1.73676e+06    3.46514e+05   -1.39024e+06    6.36970e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10983e+02   -2.12735e+02    1.16554e+02    3.57404e-06

           Step           Time
      245760000   491520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67314e+03    1.76669e+04    1.23583e+04    1.13021e+03   -2.90179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58795e+03    1.04171e+05    2.77785e+05   -1.71610e+04   -2.15157e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19263e+04   -1.73433e+06    3.45638e+05   -1.38869e+06    6.37594e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10197e+02   -2.11295e+02   -8.65588e+01    3.52954e-06

           Step           Time
      245765000   491530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70877e+03    1.82685e+04    1.24403e+04    1.07951e+03   -3.00461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62541e+03    1.04032e+05    2.80624e+05   -1.71743e+04   -2.15508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21980e+04   -1.73428e+06    3.46962e+05   -1.38732e+06    6.38025e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11385e+02   -2.11621e+02   -8.36318e+01    3.61762e-06

           Step           Time
      245770000   491540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49635e+03    1.82511e+04    1.25302e+04    1.11302e+03   -2.92427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39518e+03    1.03915e+05    2.80143e+05   -1.71405e+04   -2.15408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20745e+04   -1.73423e+06    3.46302e+05   -1.38793e+06    6.38051e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10793e+02   -2.10790e+02   -7.47258e+01    3.35226e-06

           Step           Time
      245775000   491550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56636e+03    1.79450e+04    1.23963e+04    1.06350e+03   -2.87623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51611e+03    1.03818e+05    2.84457e+05   -1.72553e+04   -2.16184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18086e+04   -1.73840e+06    3.46530e+05   -1.39187e+06    6.38280e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10997e+02   -2.13621e+02    8.00434e+01    3.40934e-06

           Step           Time
      245780000   491560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39101e+03    1.80315e+04    1.24493e+04    1.13221e+03   -2.86728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54595e+03    1.04341e+05    2.78788e+05   -1.71536e+04   -2.15278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18756e+04   -1.73425e+06    3.47487e+05   -1.38676e+06    6.38272e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11856e+02   -2.11112e+02   -3.43267e+01    3.46154e-06

           Step           Time
      245785000   491570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52978e+03    1.85926e+04    1.24776e+04    9.98751e+02   -3.00277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48813e+03    1.03915e+05    2.81514e+05   -1.72015e+04   -2.15788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20719e+04   -1.73650e+06    3.46430e+05   -1.39007e+06    6.38755e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10907e+02   -2.12291e+02    2.18478e+01    3.57548e-06

           Step           Time
      245790000   491580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39475e+03    1.82297e+04    1.25111e+04    1.07388e+03   -2.87761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60111e+03    1.03669e+05    2.80486e+05   -1.71987e+04   -2.15524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18772e+04   -1.73548e+06    3.44505e+05   -1.39097e+06    6.39385e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09179e+02   -2.12222e+02    1.50905e+01    3.29908e-06

           Step           Time
      245795000   491590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58453e+03    1.82619e+04    1.24171e+04    1.03183e+03   -2.94408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48830e+03    1.03599e+05    2.79667e+05   -1.71862e+04   -2.15276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20398e+04   -1.73380e+06    3.47701e+05   -1.38610e+06    6.39232e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12048e+02   -2.11915e+02    1.06439e+01    3.49149e-06

           Step           Time
      245800000   491600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69584e+03    1.81833e+04    1.24304e+04    1.07312e+03   -2.77741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48584e+03    1.03702e+05    2.80754e+05   -1.71447e+04   -2.15255e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20893e+04   -1.73206e+06    3.45102e+05   -1.38696e+06    6.39646e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09716e+02   -2.10895e+02   -3.17963e+01    3.46818e-06

           Step           Time
      245805000   491610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59557e+03    1.87676e+04    1.25191e+04    1.01975e+03   -2.90326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48501e+03    1.04031e+05    2.84420e+05   -1.72352e+04   -2.15927e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19159e+04   -1.73465e+06    3.47097e+05   -1.38756e+06    6.40261e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11506e+02   -2.13124e+02    2.63039e+02    3.44426e-06

           Step           Time
      245810000   491620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35518e+03    1.82876e+04    1.23400e+04    1.09621e+03   -2.94971e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63596e+03    1.03543e+05    2.82148e+05   -1.72193e+04   -2.15593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21395e+04   -1.73455e+06    3.46086e+05   -1.38847e+06    6.40231e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10599e+02   -2.12731e+02    1.32271e+02    3.29256e-06

           Step           Time
      245815000   491630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49358e+03    1.78583e+04    1.22623e+04    1.12585e+03   -2.82290e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51122e+03    1.04174e+05    2.80856e+05   -1.71852e+04   -2.15427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20204e+04   -1.73398e+06    3.45978e+05   -1.38800e+06    6.41125e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10502e+02   -2.11891e+02   -3.10940e+01    3.37554e-06

           Step           Time
      245820000   491640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57072e+03    1.82473e+04    1.22480e+04    9.69347e+02   -2.66917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46054e+03    1.03863e+05    2.78577e+05   -1.71817e+04   -2.15303e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20486e+04   -1.73490e+06    3.46131e+05   -1.38877e+06    6.40734e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10639e+02   -2.11805e+02   -1.20855e+02    3.44541e-06

           Step           Time
      245825000   491650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56608e+03    1.83274e+04    1.25348e+04    1.17481e+03   -2.82047e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52850e+03    1.03657e+05    2.81009e+05   -1.71484e+04   -2.15536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20633e+04   -1.73446e+06    3.47376e+05   -1.38709e+06    6.41145e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11757e+02   -2.10985e+02   -3.06561e+01    3.68316e-06

           Step           Time
      245830000   491660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48180e+03    1.82087e+04    1.24477e+04    1.09456e+03   -2.88573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46749e+03    1.04647e+05    2.81476e+05   -1.72116e+04   -2.15770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20209e+04   -1.73595e+06    3.46421e+05   -1.38953e+06    6.41891e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10899e+02   -2.12542e+02    2.08898e+01    3.53752e-06

           Step           Time
      245835000   491670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49673e+03    1.85825e+04    1.24850e+04    1.16567e+03   -2.99115e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48260e+03    1.04134e+05    2.82531e+05   -1.72163e+04   -2.15618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19726e+04   -1.73354e+06    3.46510e+05   -1.38703e+06    6.42271e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10979e+02   -2.12656e+02    8.15669e+01    3.66718e-06

           Step           Time
      245840000   491680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57645e+03    1.85406e+04    1.22468e+04    1.04545e+03   -2.94930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36975e+03    1.03642e+05    2.80639e+05   -1.71646e+04   -2.15519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19386e+04   -1.73531e+06    3.46656e+05   -1.38865e+06    6.42580e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11110e+02   -2.11383e+02   -2.83237e+01    3.42522e-06

           Step           Time
      245845000   491690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71396e+03    1.79319e+04    1.25110e+04    1.02291e+03   -2.93392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60743e+03    1.04162e+05    2.80618e+05   -1.72040e+04   -2.15748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19041e+04   -1.73714e+06    3.47113e+05   -1.39003e+06    6.42846e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11521e+02   -2.12353e+02   -6.82106e+01    3.37180e-06

           Step           Time
      245850000   491700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52869e+03    1.83460e+04    1.23397e+04    1.13437e+03   -2.85249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51462e+03    1.03474e+05    2.82301e+05   -1.71773e+04   -2.15865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20280e+04   -1.73701e+06    3.47150e+05   -1.38986e+06    6.43326e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11554e+02   -2.11697e+02    6.79307e+00    3.54898e-06

           Step           Time
      245855000   491710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44995e+03    1.82580e+04    1.23273e+04    1.10760e+03   -2.90661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68596e+03    1.04206e+05    2.79647e+05   -1.72042e+04   -2.15390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20192e+04   -1.73431e+06    3.46336e+05   -1.38798e+06    6.43299e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10823e+02   -2.12359e+02   -1.35828e+01    3.52872e-06

           Step           Time
      245860000   491720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59348e+03    1.84081e+04    1.21901e+04    1.11356e+03   -2.79320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58686e+03    1.04116e+05    2.82180e+05   -1.72180e+04   -2.15906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18710e+04   -1.73702e+06    3.46696e+05   -1.39032e+06    6.43470e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11146e+02   -2.12700e+02    3.51277e+01    3.61858e-06

           Step           Time
      245865000   491730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40880e+03    1.80514e+04    1.22136e+04    1.10924e+03   -2.77027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53185e+03    1.04120e+05    2.80057e+05   -1.71521e+04   -2.15350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19814e+04   -1.73395e+06    3.45359e+05   -1.38859e+06    6.43376e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09946e+02   -2.11077e+02   -4.92386e+01    3.51081e-06

           Step           Time
      245870000   491740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72314e+03    1.81596e+04    1.25616e+04    1.19162e+03   -2.87759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45052e+03    1.03803e+05    2.81485e+05   -1.72260e+04   -2.15701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19749e+04   -1.73576e+06    3.47024e+05   -1.38874e+06    6.43869e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11440e+02   -2.12896e+02   -2.41156e+01    3.41601e-06

           Step           Time
      245875000   491750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62803e+03    1.79289e+04    1.25569e+04    1.07939e+03   -2.80120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43293e+03    1.04363e+05    2.80770e+05   -1.72021e+04   -2.15559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19642e+04   -1.73487e+06    3.44757e+05   -1.39012e+06    6.44054e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09406e+02   -2.12308e+02    2.34120e+01    3.59265e-06

           Step           Time
      245880000   491760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70702e+03    1.81424e+04    1.23257e+04    1.16169e+03   -2.75335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45397e+03    1.04290e+05    2.78971e+05   -1.71797e+04   -2.15408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19584e+04   -1.73501e+06    3.45029e+05   -1.38998e+06    6.44528e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09650e+02   -2.11754e+02   -1.17912e+02    3.36482e-06

           Step           Time
      245885000   491770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71685e+03    1.83142e+04    1.23554e+04    1.04351e+03   -2.89452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37555e+03    1.04426e+05    2.80253e+05   -1.71920e+04   -2.15578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18352e+04   -1.73555e+06    3.47478e+05   -1.38807e+06    6.44331e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11848e+02   -2.12059e+02    1.34227e+01    3.44506e-06

           Step           Time
      245890000   491780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66069e+03    1.80578e+04    1.25152e+04    1.02959e+03   -2.85665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45916e+03    1.04704e+05    2.81227e+05   -1.71672e+04   -2.15696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20189e+04   -1.73531e+06    3.47549e+05   -1.38776e+06    6.44652e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11911e+02   -2.11448e+02   -8.33607e+01    3.53404e-06

           Step           Time
      245895000   491790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54471e+03    1.81770e+04    1.23044e+04    1.06397e+03   -2.89370e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49475e+03    1.04094e+05    2.81639e+05   -1.71351e+04   -2.15648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18505e+04   -1.73534e+06    3.46376e+05   -1.38897e+06    6.45132e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10859e+02   -2.10657e+02   -7.01137e+01    3.45355e-06

           Step           Time
      245900000   491800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34728e+03    1.85884e+04    1.24600e+04    1.11283e+03   -2.74786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60107e+03    1.04161e+05    2.82216e+05   -1.72077e+04   -2.15645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19892e+04   -1.73393e+06    3.48311e+05   -1.38562e+06    6.45425e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12595e+02   -2.12444e+02    1.49869e+02    3.45187e-06

           Step           Time
      245905000   491810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56109e+03    1.83940e+04    1.22893e+04    1.08548e+03   -2.81718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43606e+03    1.03735e+05    2.80532e+05   -1.72179e+04   -2.15383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20853e+04   -1.73374e+06    3.47173e+05   -1.38657e+06    6.45652e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11575e+02   -2.12698e+02    1.32891e+01    3.48630e-06

           Step           Time
      245910000   491820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56362e+03    1.79352e+04    1.23397e+04    1.08451e+03   -2.79691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56339e+03    1.04089e+05    2.83813e+05   -1.72150e+04   -2.15911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19875e+04   -1.73575e+06    3.48501e+05   -1.38725e+06    6.46131e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12766e+02   -2.12624e+02    1.27925e+02    3.51039e-06

           Step           Time
      245915000   491830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60691e+03    1.84622e+04    1.25065e+04    1.10219e+03   -3.01299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49704e+03    1.03647e+05    2.82084e+05   -1.72195e+04   -2.15748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18300e+04   -1.73598e+06    3.46682e+05   -1.38929e+06    6.46660e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11134e+02   -2.12737e+02    5.76422e+01    3.48904e-06

           Step           Time
      245920000   491840.00000

Writing checkpoint, step 245920000 at Sat Dec  2 03:23:07 2023


   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66529e+03    1.81161e+04    1.24079e+04    1.11384e+03   -2.78339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46588e+03    1.04262e+05    2.79901e+05   -1.71443e+04   -2.15279e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20652e+04   -1.73272e+06    3.45923e+05   -1.38680e+06    6.46675e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10452e+02   -2.10884e+02   -6.16429e+01    3.42257e-06

           Step           Time
      245925000   491850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49374e+03    1.79766e+04    1.25978e+04    1.17248e+03   -2.82820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65500e+03    1.04088e+05    2.82536e+05   -1.71943e+04   -2.15895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19356e+04   -1.73652e+06    3.47931e+05   -1.38859e+06    6.46818e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12255e+02   -2.12115e+02    4.91351e+01    3.55935e-06

           Step           Time
      245930000   491860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56473e+03    1.82401e+04    1.21654e+04    1.10765e+03   -2.75411e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40260e+03    1.04005e+05    2.80950e+05   -1.71731e+04   -2.15560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19049e+04   -1.73519e+06    3.47494e+05   -1.38770e+06    6.47009e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11862e+02   -2.11592e+02   -2.96674e+01    3.46493e-06

           Step           Time
      245935000   491870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41043e+03    1.82844e+04    1.24287e+04    1.03624e+03   -2.85485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46545e+03    1.04189e+05    2.82471e+05   -1.72027e+04   -2.15868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17435e+04   -1.73671e+06    3.46380e+05   -1.39033e+06    6.47430e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10863e+02   -2.12322e+02    6.31952e+01    3.70852e-06

           Step           Time
      245940000   491880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47056e+03    1.80396e+04    1.26177e+04    1.17642e+03   -2.82256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46130e+03    1.03932e+05    2.79095e+05   -1.71764e+04   -2.15252e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19047e+04   -1.73382e+06    3.46242e+05   -1.38758e+06    6.47514e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10738e+02   -2.11675e+02   -7.59667e+01    3.51370e-06

           Step           Time
      245945000   491890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46503e+03    1.82132e+04    1.22405e+04    1.16329e+03   -2.84559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58252e+03    1.04297e+05    2.81035e+05   -1.72181e+04   -2.15627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18935e+04   -1.73545e+06    3.48156e+05   -1.38729e+06    6.47700e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12456e+02   -2.12702e+02    5.58094e+01    3.55399e-06

           Step           Time
      245950000   491900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62996e+03    1.82350e+04    1.24628e+04    1.05241e+03   -2.86553e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54588e+03    1.04383e+05    2.78256e+05   -1.71793e+04   -2.15111e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19299e+04   -1.73265e+06    3.47616e+05   -1.38504e+06    6.48336e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11971e+02   -2.11746e+02   -4.79838e+01    3.34568e-06

           Step           Time
      245955000   491910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53381e+03    1.79385e+04    1.20794e+04    1.12133e+03   -2.84906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49140e+03    1.04114e+05    2.81982e+05   -1.71654e+04   -2.15770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20097e+04   -1.73644e+06    3.47534e+05   -1.38891e+06    6.48434e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11898e+02   -2.11404e+02    8.09651e+00    3.58025e-06

           Step           Time
      245960000   491920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60550e+03    1.80718e+04    1.25755e+04    1.11171e+03   -2.93818e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56523e+03    1.04254e+05    2.78763e+05   -1.71622e+04   -2.15272e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21514e+04   -1.73373e+06    3.47077e+05   -1.38665e+06    6.49051e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11488e+02   -2.11325e+02   -1.10493e+02    3.41924e-06

           Step           Time
      245965000   491930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45466e+03    1.85033e+04    1.22010e+04    1.09570e+03   -2.90201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51337e+03    1.04132e+05    2.78929e+05   -1.72083e+04   -2.15245e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19316e+04   -1.73380e+06    3.46015e+05   -1.38779e+06    6.49695e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10535e+02   -2.12461e+02   -6.58390e+01    3.50421e-06

           Step           Time
      245970000   491940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50089e+03    1.81487e+04    1.25118e+04    1.02842e+03   -2.96756e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54475e+03    1.04215e+05    2.79100e+05   -1.71999e+04   -2.15268e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19653e+04   -1.73384e+06    3.46016e+05   -1.38782e+06    6.50120e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10536e+02   -2.12252e+02   -3.00353e+01    3.55320e-06

           Step           Time
      245975000   491950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66696e+03    1.83503e+04    1.22845e+04    1.02725e+03   -2.84951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67258e+03    1.04321e+05    2.80858e+05   -1.71757e+04   -2.15550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19135e+04   -1.73443e+06    3.46940e+05   -1.38749e+06    6.50788e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11365e+02   -2.11658e+02    1.23327e+01    3.47423e-06

           Step           Time
      245980000   491960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52663e+03    1.81700e+04    1.25238e+04    1.12068e+03   -2.94014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72380e+03    1.03956e+05    2.82187e+05   -1.72272e+04   -2.15822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18842e+04   -1.73629e+06    3.46462e+05   -1.38983e+06    6.50879e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10936e+02   -2.12926e+02    7.70230e+01    3.57122e-06

           Step           Time
      245985000   491970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67279e+03    1.78289e+04    1.24683e+04    1.07127e+03   -2.98358e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66824e+03    1.03982e+05    2.82511e+05   -1.71949e+04   -2.15739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19841e+04   -1.73538e+06    3.46164e+05   -1.38922e+06    6.51364e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10669e+02   -2.12130e+02    8.11730e+01    3.43641e-06

           Step           Time
      245990000   491980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46500e+03    1.79580e+04    1.22256e+04    1.13309e+03   -2.95743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58079e+03    1.04143e+05    2.80072e+05   -1.71838e+04   -2.15715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20548e+04   -1.73765e+06    3.46658e+05   -1.39100e+06    6.51092e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11112e+02   -2.11856e+02   -7.45061e+01    3.41981e-06

           Step           Time
      245995000   491990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52074e+03    1.80222e+04    1.22382e+04    1.11695e+03   -2.82587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61334e+03    1.04551e+05    2.79838e+05   -1.71858e+04   -2.15640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19386e+04   -1.73658e+06    3.46484e+05   -1.39009e+06    6.51524e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10956e+02   -2.11905e+02   -5.58329e+01    3.47635e-06

           Step           Time
      246000000   492000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53434e+03    1.81528e+04    1.26081e+04    1.02435e+03   -2.84579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55945e+03    1.04112e+05    2.84623e+05   -1.71789e+04   -2.15965e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18912e+04   -1.73517e+06    3.47811e+05   -1.38736e+06    6.51644e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12147e+02   -2.11737e+02    9.64739e+01    3.73152e-06

           Step           Time
      246005000   492010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40915e+03    1.84631e+04    1.24590e+04    1.07583e+03   -2.89943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56565e+03    1.03988e+05    2.81570e+05   -1.71837e+04   -2.15303e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19698e+04   -1.73162e+06    3.46022e+05   -1.38559e+06    6.52328e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10542e+02   -2.11853e+02    6.96419e+01    3.59171e-06

           Step           Time
      246010000   492020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61746e+03    1.77550e+04    1.24537e+04    1.14091e+03   -2.85679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62617e+03    1.03975e+05    2.82224e+05   -1.72017e+04   -2.15590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20494e+04   -1.73412e+06    3.46546e+05   -1.38757e+06    6.52645e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11012e+02   -2.12296e+02    1.08528e+02    3.60576e-06

           Step           Time
      246015000   492030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53931e+03    1.82670e+04    1.24157e+04    1.09760e+03   -2.73285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43978e+03    1.03885e+05    2.81308e+05   -1.71798e+04   -2.15429e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19999e+04   -1.73325e+06    3.45271e+05   -1.38798e+06    6.53169e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09867e+02   -2.11757e+02    5.07324e+01    3.40263e-06

           Step           Time
      246020000   492040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.05642e+03    1.84996e+04    1.23784e+04    1.14739e+03   -2.80233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59112e+03    1.03799e+05    2.81738e+05   -1.71718e+04   -2.15792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21633e+04   -1.73652e+06    3.46286e+05   -1.39023e+06    6.53411e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10778e+02   -2.11560e+02    5.40901e+01    3.46286e-06

           Step           Time
      246025000   492050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64965e+03    1.83281e+04    1.23117e+04    1.07721e+03   -2.85605e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34380e+03    1.03887e+05    2.80502e+05   -1.72364e+04   -2.15787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17060e+04   -1.73816e+06    3.47301e+05   -1.39086e+06    6.53791e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11689e+02   -2.13153e+02   -3.91705e+01    3.44358e-06

           Step           Time
      246030000   492060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44753e+03    1.81726e+04    1.24108e+04    1.12283e+03   -2.82656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52786e+03    1.03480e+05    2.83290e+05   -1.71905e+04   -2.15784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19041e+04   -1.73550e+06    3.47065e+05   -1.38843e+06    6.53786e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11477e+02   -2.12021e+02    1.14095e+02    3.49570e-06

           Step           Time
      246035000   492070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28097e+03    1.80586e+04    1.22878e+04    1.05269e+03   -2.75316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64639e+03    1.03816e+05    2.81972e+05   -1.71567e+04   -2.15680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19912e+04   -1.73561e+06    3.45478e+05   -1.39013e+06    6.53914e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10053e+02   -2.11189e+02    7.50225e+01    3.44576e-06

           Step           Time
      246040000   492080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56356e+03    1.83161e+04    1.23753e+04    1.07238e+03   -2.80515e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60779e+03    1.04353e+05    2.78342e+05   -1.71571e+04   -2.14990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20426e+04   -1.73119e+06    3.45698e+05   -1.38549e+06    6.54646e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10250e+02   -2.11200e+02   -2.83861e+00    3.44302e-06

           Step           Time
      246045000   492090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94649e+03    1.78281e+04    1.21792e+04    1.07677e+03   -2.78098e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42464e+03    1.03984e+05    2.82270e+05   -1.72013e+04   -2.15923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19537e+04   -1.73755e+06    3.46419e+05   -1.39113e+06    6.54352e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10898e+02   -2.12288e+02   -4.23541e+01    3.32765e-06

           Step           Time
      246050000   492100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45551e+03    1.82949e+04    1.24149e+04    1.09013e+03   -2.80677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56188e+03    1.03978e+05    2.81831e+05   -1.71983e+04   -2.15587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18363e+04   -1.73441e+06    3.47140e+05   -1.38727e+06    6.55120e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11545e+02   -2.12214e+02    8.07116e+01    3.53409e-06

           Step           Time
      246055000   492110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38235e+03    1.81674e+04    1.24132e+04    1.09085e+03   -2.91916e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57882e+03    1.04165e+05    2.81369e+05   -1.72009e+04   -2.15615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22268e+04   -1.73488e+06    3.45432e+05   -1.38944e+06    6.54885e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10012e+02   -2.12278e+02    3.05641e+01    3.34729e-06

           Step           Time
      246060000   492120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35222e+03    1.81232e+04    1.22277e+04    1.07980e+03   -2.73986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61085e+03    1.04350e+05    2.80533e+05   -1.71874e+04   -2.15693e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18259e+04   -1.73675e+06    3.47328e+05   -1.38943e+06    6.55246e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11713e+02   -2.11944e+02    2.58065e+01    3.33872e-06

           Step           Time
      246065000   492130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46733e+03    1.82786e+04    1.24717e+04    1.09800e+03   -2.92229e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51661e+03    1.04224e+05    2.81624e+05   -1.71937e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18108e+04   -1.73568e+06    3.47436e+05   -1.38825e+06    6.55449e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11810e+02   -2.12100e+02    3.44378e+01    3.50268e-06

           Step           Time
      246070000   492140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34034e+03    1.82537e+04    1.23280e+04    1.01146e+03   -2.88286e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60729e+03    1.04348e+05    2.79107e+05   -1.72116e+04   -2.15535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19125e+04   -1.73654e+06    3.44908e+05   -1.39163e+06    6.56020e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09542e+02   -2.12541e+02   -1.82143e+01    3.33405e-06

           Step           Time
      246075000   492150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42547e+03    1.78051e+04    1.23550e+04    1.04375e+03   -2.74846e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66698e+03    1.04382e+05    2.81861e+05   -1.72380e+04   -2.15638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19210e+04   -1.73491e+06    3.46353e+05   -1.38855e+06    6.55814e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10839e+02   -2.13194e+02    1.10075e+02    3.53875e-06

           Step           Time
      246080000   492160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59276e+03    1.84286e+04    1.23276e+04    1.12721e+03   -2.91297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50371e+03    1.04059e+05    2.78755e+05   -1.71608e+04   -2.15392e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18753e+04   -1.73533e+06    3.46987e+05   -1.38834e+06    6.55902e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11408e+02   -2.11291e+02   -1.05019e+02    3.47780e-06

           Step           Time
      246085000   492170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61638e+03    1.80909e+04    1.23371e+04    1.04184e+03   -2.84282e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59974e+03    1.04209e+05    2.83026e+05   -1.71939e+04   -2.15864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19477e+04   -1.73581e+06    3.45450e+05   -1.39036e+06    6.56462e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10028e+02   -2.12105e+02    1.15313e+02    3.26642e-06

           Step           Time
      246090000   492180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69518e+03    1.77066e+04    1.22787e+04    1.07428e+03   -2.72015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58444e+03    1.04405e+05    2.80372e+05   -1.71697e+04   -2.15488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19202e+04   -1.73473e+06    3.47231e+05   -1.38750e+06    6.55949e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11626e+02   -2.11508e+02   -6.33170e+01    3.57104e-06

           Step           Time
      246095000   492190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45305e+03    1.82533e+04    1.22114e+04    1.07099e+03   -2.81723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46547e+03    1.04922e+05    2.80132e+05   -1.71646e+04   -2.15516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19432e+04   -1.73469e+06    3.46931e+05   -1.38776e+06    6.56469e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11357e+02   -2.11383e+02   -5.42121e+01    3.33888e-06

           Step           Time
      246100000   492200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47604e+03    1.83015e+04    1.24684e+04    1.10449e+03   -2.84495e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57522e+03    1.04734e+05    2.80326e+05   -1.71899e+04   -2.15410e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19946e+04   -1.73316e+06    3.48704e+05   -1.38446e+06    6.56571e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12948e+02   -2.12007e+02    5.50236e+01    3.34668e-06

           Step           Time
      246105000   492210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40599e+03    1.87081e+04    1.22514e+04    1.03928e+03   -2.83489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56809e+03    1.04491e+05    2.80973e+05   -1.71780e+04   -2.15374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21238e+04   -1.73219e+06    3.47528e+05   -1.38467e+06    6.57455e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11893e+02   -2.11714e+02    5.14923e+01    3.56325e-06

           Step           Time
      246110000   492220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56039e+03    1.84764e+04    1.21519e+04    1.05896e+03   -2.90420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53580e+03    1.04142e+05    2.80899e+05   -1.71396e+04   -2.15599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19636e+04   -1.73525e+06    3.46740e+05   -1.38851e+06    6.57550e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11186e+02   -2.10770e+02   -3.92003e+01    3.47105e-06

           Step           Time
      246115000   492230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38631e+03    1.82950e+04    1.24790e+04    1.08633e+03   -2.98377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41934e+03    1.03897e+05    2.75742e+05   -1.71923e+04   -2.15038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19142e+04   -1.73533e+06    3.46081e+05   -1.38925e+06    6.57539e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10595e+02   -2.12066e+02   -2.64130e+02    3.69024e-06

           Step           Time
      246120000   492240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57656e+03    1.81391e+04    1.24076e+04    1.06587e+03   -2.74987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54217e+03    1.04043e+05    2.81478e+05   -1.71916e+04   -2.15553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22153e+04   -1.73400e+06    3.48136e+05   -1.38587e+06    6.58341e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12438e+02   -2.12047e+02    8.79329e+01    3.48022e-06

           Step           Time
      246125000   492250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27620e+03    1.77484e+04    1.24490e+04    1.08079e+03   -2.97619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66431e+03    1.04542e+05    2.80722e+05   -1.72096e+04   -2.15659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21327e+04   -1.73616e+06    3.44352e+05   -1.39181e+06    6.58520e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09042e+02   -2.12492e+02    5.93743e+01    3.38133e-06

           Step           Time
      246130000   492260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52369e+03    1.81265e+04    1.25014e+04    1.05645e+03   -2.83972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53351e+03    1.04411e+05    2.80597e+05   -1.71890e+04   -2.15626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18210e+04   -1.73572e+06    3.47104e+05   -1.38862e+06    6.58666e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11512e+02   -2.11984e+02   -3.28500e+01    3.48534e-06

           Step           Time
      246135000   492270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42027e+03    1.80339e+04    1.24199e+04    1.13744e+03   -2.89091e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44138e+03    1.04144e+05    2.82024e+05   -1.72311e+04   -2.15617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19937e+04   -1.73467e+06    3.45291e+05   -1.38938e+06    6.58836e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09885e+02   -2.13023e+02    6.76409e+01    3.44801e-06

           Step           Time
      246140000   492280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38428e+03    1.81651e+04    1.24439e+04    1.15057e+03   -2.94131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59427e+03    1.04351e+05    2.79392e+05   -1.72081e+04   -2.15363e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20795e+04   -1.73422e+06    3.46886e+05   -1.38733e+06    6.58861e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11316e+02   -2.12454e+02   -2.07893e+01    3.49845e-06

           Step           Time
      246145000   492290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56164e+03    1.84414e+04    1.23644e+04    1.03122e+03   -2.87846e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53486e+03    1.04065e+05    2.77289e+05   -1.71938e+04   -2.14946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20020e+04   -1.73225e+06    3.46303e+05   -1.38594e+06    6.59616e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10793e+02   -2.12103e+02   -6.74615e+01    3.37102e-06

           Step           Time
      246150000   492300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48704e+03    1.81266e+04    1.24451e+04    1.04905e+03   -2.92425e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46704e+03    1.03825e+05    2.80470e+05   -1.71987e+04   -2.15421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20897e+04   -1.73437e+06    3.44744e+05   -1.38963e+06    6.59662e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09395e+02   -2.12222e+02   -3.52669e+01    3.59013e-06

           Step           Time
      246155000   492310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67725e+03    1.84251e+04    1.25044e+04    1.03347e+03   -2.93359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51249e+03    1.03901e+05    2.79084e+05   -1.71604e+04   -2.15150e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21426e+04   -1.73231e+06    3.46255e+05   -1.38605e+06    6.60029e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10751e+02   -2.11280e+02   -6.00538e+01    3.45098e-06

           Step           Time
      246160000   492320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44375e+03    1.83912e+04    1.24218e+04    1.07444e+03   -2.84829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52474e+03    1.03831e+05    2.80359e+05   -1.71543e+04   -2.15508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21317e+04   -1.73491e+06    3.47479e+05   -1.38743e+06    6.59952e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11849e+02   -2.11131e+02   -1.68479e+01    3.45248e-06

           Step           Time
      246165000   492330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61859e+03    1.82536e+04    1.22281e+04    1.14769e+03   -2.78522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49974e+03    1.03949e+05    2.82121e+05   -1.72242e+04   -2.15721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18737e+04   -1.73552e+06    3.45281e+05   -1.39024e+06    6.60782e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09877e+02   -2.12853e+02    8.75253e+01    3.34895e-06

           Step           Time
      246170000   492340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50222e+03    1.84697e+04    1.21905e+04    1.04332e+03   -2.65040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61949e+03    1.03916e+05    2.80926e+05   -1.71545e+04   -2.15575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21661e+04   -1.73473e+06    3.47037e+05   -1.38769e+06    6.60980e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11452e+02   -2.11135e+02   -1.92241e+01    3.47704e-06

           Step           Time
      246175000   492350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56858e+03    1.83408e+04    1.25320e+04    1.18249e+03   -2.89167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43403e+03    1.03898e+05    2.80837e+05   -1.72143e+04   -2.15480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19202e+04   -1.73419e+06    3.46645e+05   -1.38755e+06    6.61080e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11101e+02   -2.12607e+02    7.08451e+01    3.43960e-06

           Step           Time
      246180000   492360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63747e+03    1.81955e+04    1.23816e+04    9.94830e+02   -2.90297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56158e+03    1.04286e+05    2.79876e+05   -1.71699e+04   -2.15138e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17966e+04   -1.73172e+06    3.44183e+05   -1.38754e+06    6.61646e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08891e+02   -2.11513e+02    1.48094e-01    3.38278e-06

           Step           Time
      246185000   492370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49398e+03    1.81964e+04    1.23850e+04    1.08591e+03   -2.81135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75779e+03    1.03863e+05    2.82558e+05   -1.71824e+04   -2.15722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18966e+04   -1.73498e+06    3.47121e+05   -1.38786e+06    6.61565e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11528e+02   -2.11823e+02    7.98037e+01    3.48152e-06

           Step           Time
      246190000   492380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58702e+03    1.82108e+04    1.22868e+04    1.07806e+03   -2.78608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51769e+03    1.04110e+05    2.80240e+05   -1.71857e+04   -2.15456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18969e+04   -1.73461e+06    3.46095e+05   -1.38851e+06    6.61950e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10607e+02   -2.11903e+02   -3.90599e+01    3.55367e-06

           Step           Time
      246195000   492390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44102e+03    1.84661e+04    1.20951e+04    1.06989e+03   -2.77769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64922e+03    1.03955e+05    2.81348e+05   -1.72462e+04   -2.15647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21046e+04   -1.73537e+06    3.46151e+05   -1.38922e+06    6.62679e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10657e+02   -2.13395e+02    1.11666e+02    3.25387e-06

           Step           Time
      246200000   492400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51911e+03    1.86318e+04    1.20928e+04    1.07908e+03   -2.72242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55285e+03    1.03984e+05    2.79210e+05   -1.71667e+04   -2.15232e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18343e+04   -1.73331e+06    3.46934e+05   -1.38638e+06    6.62991e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11360e+02   -2.11435e+02   -7.89352e+01    3.36104e-06

           Step           Time
      246205000   492410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31490e+03    1.83461e+04    1.23083e+04    1.07148e+03   -2.82296e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56743e+03    1.04116e+05    2.82748e+05   -1.71889e+04   -2.15604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20657e+04   -1.73352e+06    3.47008e+05   -1.38651e+06    6.63065e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11426e+02   -2.11982e+02    1.46020e+02    3.39140e-06

           Step           Time
      246210000   492420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54269e+03    1.82823e+04    1.24220e+04    1.14213e+03   -2.85933e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52765e+03    1.04356e+05    2.79938e+05   -1.72013e+04   -2.15633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18522e+04   -1.73633e+06    3.46478e+05   -1.38985e+06    6.63396e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10951e+02   -2.12288e+02   -1.12084e+01    3.28682e-06

           Step           Time
      246215000   492430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66467e+03    1.82588e+04    1.24442e+04    1.17686e+03   -2.90712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50072e+03    1.04176e+05    2.78422e+05   -1.72171e+04   -2.15337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19539e+04   -1.73490e+06    3.47202e+05   -1.38769e+06    6.63371e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11600e+02   -2.12677e+02   -8.42280e+01    3.31163e-06

           Step           Time
      246220000   492440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50692e+03    1.83581e+04    1.23437e+04    1.02816e+03   -2.85236e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54316e+03    1.04451e+05    2.78412e+05   -1.72051e+04   -2.15406e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20304e+04   -1.73544e+06    3.47159e+05   -1.38829e+06    6.63270e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11562e+02   -2.12381e+02   -7.02752e+01    3.46972e-06

           Step           Time
      246225000   492450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59980e+03    1.80619e+04    1.24420e+04    1.08049e+03   -2.81156e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58452e+03    1.04152e+05    2.80888e+05   -1.72040e+04   -2.15521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18501e+04   -1.73456e+06    3.47196e+05   -1.38737e+06    6.63664e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11595e+02   -2.12354e+02    4.51854e+01    3.54725e-06

           Step           Time
      246230000   492460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62903e+03    1.78531e+04    1.23969e+04    1.03482e+03   -2.74787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55520e+03    1.04355e+05    2.80712e+05   -1.71845e+04   -2.15677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19590e+04   -1.73621e+06    3.45615e+05   -1.39060e+06    6.64426e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10176e+02   -2.11872e+02   -4.72617e+01    3.30099e-06

           Step           Time
      246235000   492470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38815e+03    1.82005e+04    1.23782e+04    1.08249e+03   -2.87373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53669e+03    1.03689e+05    2.82937e+05   -1.72418e+04   -2.15987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19272e+04   -1.73785e+06    3.45148e+05   -1.39270e+06    6.64684e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09757e+02   -2.13286e+02    1.10380e+02    3.54553e-06

           Step           Time
      246240000   492480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52600e+03    1.85437e+04    1.22820e+04    1.07779e+03   -2.74543e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49307e+03    1.04424e+05    2.82632e+05   -1.72033e+04   -2.15831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20021e+04   -1.73528e+06    3.47986e+05   -1.38729e+06    6.65059e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12304e+02   -2.12338e+02    6.29236e+01    3.38455e-06

           Step           Time
      246245000   492490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69869e+03    1.80566e+04    1.23463e+04    1.22925e+03   -2.91993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51314e+03    1.03985e+05    2.81249e+05   -1.71961e+04   -2.15579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19323e+04   -1.73490e+06    3.46415e+05   -1.38848e+06    6.65339e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10894e+02   -2.12160e+02    2.43793e+01    3.48886e-06

           Step           Time
      246250000   492500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76038e+03    1.82391e+04    1.24759e+04    1.19730e+03   -2.85021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52820e+03    1.04439e+05    2.80970e+05   -1.71840e+04   -2.15464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19067e+04   -1.73316e+06    3.47559e+05   -1.38560e+06    6.65985e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11921e+02   -2.11862e+02    4.57701e+00    3.46765e-06

           Step           Time
      246255000   492510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55964e+03    1.80036e+04    1.24270e+04    1.06451e+03   -2.80842e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46669e+03    1.04206e+05    2.80925e+05   -1.71753e+04   -2.15628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20568e+04   -1.73556e+06    3.46098e+05   -1.38946e+06    6.65784e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10609e+02   -2.11646e+02   -8.23165e+01    3.55737e-06

           Step           Time
      246260000   492520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57454e+03    1.83977e+04    1.24704e+04    1.05343e+03   -2.81759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51311e+03    1.04120e+05    2.82523e+05   -1.71797e+04   -2.15806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20776e+04   -1.73532e+06    3.46879e+05   -1.38845e+06    6.66048e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11310e+02   -2.11754e+02    2.07898e+01    3.42716e-06

           Step           Time
      246265000   492530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48029e+03    1.80561e+04    1.23203e+04    9.97220e+02   -2.69640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64007e+03    1.04104e+05    2.81519e+05   -1.71753e+04   -2.15537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20939e+04   -1.73403e+06    3.45289e+05   -1.38875e+06    6.66498e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09883e+02   -2.11647e+02    6.91946e+01    3.22407e-06

           Step           Time
      246270000   492540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20079e+03    1.81796e+04    1.22390e+04    1.04932e+03   -2.78147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60390e+03    1.04055e+05    2.81281e+05   -1.72029e+04   -2.15832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.16347e+04   -1.73806e+06    3.44965e+05   -1.39309e+06    6.66584e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09593e+02   -2.12326e+02    4.36450e+01    3.31338e-06

           Step           Time
      246275000   492550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67709e+03    1.82494e+04    1.22181e+04    1.09227e+03   -2.83766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37768e+03    1.03977e+05    2.82243e+05   -1.71993e+04   -2.15849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19106e+04   -1.73678e+06    3.46514e+05   -1.39027e+06    6.66698e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10983e+02   -2.12239e+02   -1.93556e+01    3.44633e-06

           Step           Time
      246280000   492560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55385e+03    1.78543e+04    1.23573e+04    1.17369e+03   -2.68587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68657e+03    1.04554e+05    2.84175e+05   -1.72554e+04   -2.16033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20330e+04   -1.73588e+06    3.44367e+05   -1.39151e+06    6.67381e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09056e+02   -2.13624e+02    2.09038e+02    3.42777e-06

           Step           Time
      246285000   492570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.13452e+03    1.82776e+04    1.23165e+04    1.16839e+03   -2.79452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63047e+03    1.04315e+05    2.80585e+05   -1.72159e+04   -2.15678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20388e+04   -1.73633e+06    3.46960e+05   -1.38937e+06    6.67224e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11383e+02   -2.12646e+02    8.60287e+01    3.42918e-06

           Step           Time
      246290000   492580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34144e+03    1.81348e+04    1.23447e+04    1.03633e+03   -2.73618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50381e+03    1.03932e+05    2.79477e+05   -1.71530e+04   -2.15365e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19669e+04   -1.73480e+06    3.46371e+05   -1.38843e+06    6.67581e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10854e+02   -2.11099e+02   -8.76081e+01    3.69793e-06

           Step           Time
      246295000   492590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62640e+03    1.82907e+04    1.25442e+04    1.17830e+03   -2.88470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58549e+03    1.04299e+05    2.81527e+05   -1.71887e+04   -2.15394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20870e+04   -1.73187e+06    3.47456e+05   -1.38442e+06    6.67650e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11828e+02   -2.11977e+02    6.32226e+01    3.38636e-06

           Step           Time
      246300000   492600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35456e+03    1.81052e+04    1.25519e+04    1.11599e+03   -2.80053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63773e+03    1.04153e+05    2.80816e+05   -1.71773e+04   -2.15643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20751e+04   -1.73560e+06    3.48072e+05   -1.38753e+06    6.67892e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12381e+02   -2.11697e+02    8.49249e+00    3.53383e-06

           Step           Time
      246305000   492610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66469e+03    1.82295e+04    1.23779e+04    1.09758e+03   -2.83239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53443e+03    1.04209e+05    2.78032e+05   -1.71516e+04   -2.15144e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19969e+04   -1.73328e+06    3.46657e+05   -1.38663e+06    6.68534e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11111e+02   -2.11064e+02   -9.90483e+01    3.50252e-06

           Step           Time
      246310000   492620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48327e+03    1.86051e+04    1.22961e+04    1.07717e+03   -2.81148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41971e+03    1.04280e+05    2.78992e+05   -1.71586e+04   -2.15377e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20544e+04   -1.73453e+06    3.47932e+05   -1.38660e+06    6.68754e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12256e+02   -2.11237e+02   -1.04812e+02    3.31040e-06

           Step           Time
      246315000   492630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59600e+03    1.80393e+04    1.22290e+04    9.59284e+02   -2.79733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59848e+03    1.04832e+05    2.78769e+05   -1.72116e+04   -2.15419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19277e+04   -1.73525e+06    3.47594e+05   -1.38766e+06    6.69031e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11952e+02   -2.12541e+02   -4.28727e+01    3.37122e-06

           Step           Time
      246320000   492640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34409e+03    1.82149e+04    1.24187e+04    1.09709e+03   -2.95370e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55913e+03    1.04331e+05    2.79320e+05   -1.71421e+04   -2.15261e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19599e+04   -1.73346e+06    3.46802e+05   -1.38666e+06    6.68881e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11242e+02   -2.10831e+02   -1.78833e+01    3.43198e-06

           Step           Time
      246325000   492650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73895e+03    1.82228e+04    1.22090e+04    1.13005e+03   -2.92311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36565e+03    1.04571e+05    2.80570e+05   -1.71727e+04   -2.15516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20221e+04   -1.73443e+06    3.47730e+05   -1.38670e+06    6.70029e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12074e+02   -2.11584e+02   -1.14914e+01    3.40852e-06

           Step           Time
      246330000   492660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57341e+03    1.82467e+04    1.23881e+04    1.14426e+03   -2.83377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37754e+03    1.03887e+05    2.80421e+05   -1.71423e+04   -2.15713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19853e+04   -1.73708e+06    3.48763e+05   -1.38832e+06    6.69325e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13001e+02   -2.10835e+02   -1.20739e+02    3.36698e-06

           Step           Time
      246335000   492670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54941e+03    1.84558e+04    1.22698e+04    1.01221e+03   -2.80444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33402e+03    1.04380e+05    2.81855e+05   -1.72009e+04   -2.15646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19453e+04   -1.73467e+06    3.44438e+05   -1.39023e+06    6.70382e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09120e+02   -2.12277e+02    1.04443e+01    3.19111e-06

           Step           Time
      246340000   492680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54920e+03    1.82667e+04    1.22860e+04    1.12161e+03   -2.94318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57072e+03    1.04290e+05    2.81580e+05   -1.71903e+04   -2.15671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20413e+04   -1.73514e+06    3.48441e+05   -1.38670e+06    6.70575e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12712e+02   -2.12018e+02    4.39765e+01    3.47351e-06

           Step           Time
      246345000   492690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33637e+03    1.81615e+04    1.21786e+04    1.05980e+03   -2.84762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60959e+03    1.04800e+05    2.81433e+05   -1.71987e+04   -2.15810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20140e+04   -1.73655e+06    3.45012e+05   -1.39154e+06    6.71291e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09635e+02   -2.12223e+02    1.02573e+02    3.24019e-06

           Step           Time
      246350000   492700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74134e+03    1.86967e+04    1.24616e+04    1.11633e+03   -2.98751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55381e+03    1.04454e+05    2.79420e+05   -1.71367e+04   -2.15349e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19879e+04   -1.73318e+06    3.47328e+05   -1.38586e+06    6.71625e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11714e+02   -2.10698e+02   -6.14592e+01    3.38065e-06

           Step           Time
      246355000   492710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40901e+03    1.83820e+04    1.22763e+04    1.03823e+03   -2.89156e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46061e+03    1.04604e+05    2.80613e+05   -1.72064e+04   -2.15756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18610e+04   -1.73702e+06    3.44598e+05   -1.39242e+06    6.72366e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09263e+02   -2.12412e+02   -4.08042e+01    3.30504e-06

           Step           Time
      246360000   492720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20573e+03    1.85383e+04    1.24918e+04    1.05704e+03   -2.76201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50277e+03    1.04488e+05    2.81909e+05   -1.71750e+04   -2.15452e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20184e+04   -1.73224e+06    3.47271e+05   -1.38497e+06    6.71814e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11662e+02   -2.11639e+02    7.69636e+01    3.27512e-06

           Step           Time
      246365000   492730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66882e+03    1.81363e+04    1.23135e+04    1.10670e+03   -2.78979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51645e+03    1.04243e+05    2.78952e+05   -1.71723e+04   -2.15396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17884e+04   -1.73520e+06    3.45536e+05   -1.38966e+06    6.72274e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10106e+02   -2.11573e+02   -9.06417e+01    3.32176e-06

           Step           Time
      246370000   492740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40596e+03    1.79865e+04    1.24578e+04    1.03198e+03   -2.80602e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58659e+03    1.04639e+05    2.82065e+05   -1.71682e+04   -2.15771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20039e+04   -1.73551e+06    3.45344e+05   -1.39017e+06    6.72334e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09933e+02   -2.11473e+02    2.37891e+01    3.30718e-06

           Step           Time
      246375000   492750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55517e+03    1.80333e+04    1.25544e+04    1.13774e+03   -2.78750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57444e+03    1.04300e+05    2.79207e+05   -1.71980e+04   -2.15470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18652e+04   -1.73546e+06    3.45634e+05   -1.38982e+06    6.72896e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10193e+02   -2.12205e+02   -1.73839e+01    3.21955e-06

           Step           Time
      246380000   492760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56140e+03    1.82896e+04    1.22951e+04    1.13982e+03   -2.89786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44773e+03    1.04200e+05    2.80480e+05   -1.71967e+04   -2.15465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19700e+04   -1.73436e+06    3.46248e+05   -1.38811e+06    6.72622e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10744e+02   -2.12173e+02    4.89465e+01    3.38908e-06

           Step           Time
      246385000   492770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46798e+03    1.81926e+04    1.21419e+04    1.14538e+03   -2.90346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46476e+03    1.04675e+05    2.78647e+05   -1.71460e+04   -2.15247e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21026e+04   -1.73368e+06    3.47511e+05   -1.38617e+06    6.73410e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11877e+02   -2.10926e+02   -1.69062e+02    3.43165e-06

           Step           Time
      246390000   492780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33623e+03    1.81596e+04    1.22574e+04    1.10531e+03   -2.89904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55766e+03    1.04302e+05    2.82207e+05   -1.71759e+04   -2.15778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18123e+04   -1.73612e+06    3.44931e+05   -1.39118e+06    6.73485e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09562e+02   -2.11661e+02    6.33412e+01    3.36955e-06

           Step           Time
      246395000   492790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63787e+03    1.86948e+04    1.24903e+04    1.04805e+03   -2.94062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53348e+03    1.04380e+05    2.79612e+05   -1.71697e+04   -2.15202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19721e+04   -1.73176e+06    3.46774e+05   -1.38499e+06    6.73788e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11216e+02   -2.11508e+02    3.20111e+01    3.28242e-06

           Step           Time
      246400000   492800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51777e+03    1.80350e+04    1.24884e+04    1.06739e+03   -2.88455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53855e+03    1.04656e+05    2.82321e+05   -1.71792e+04   -2.15751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21563e+04   -1.73480e+06    3.46519e+05   -1.38828e+06    6.73941e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10987e+02   -2.11743e+02    5.28293e+01    3.45617e-06

           Step           Time
      246405000   492810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63264e+03    1.79818e+04    1.24709e+04    1.02827e+03   -2.92678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45471e+03    1.04430e+05    2.83251e+05   -1.71895e+04   -2.15950e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19458e+04   -1.73642e+06    3.46036e+05   -1.39038e+06    6.73748e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10553e+02   -2.11998e+02    4.77218e+01    3.59798e-06

           Step           Time
      246410000   492820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69456e+03    1.81415e+04    1.22849e+04    1.03196e+03   -2.92626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59423e+03    1.04199e+05    2.81936e+05   -1.72428e+04   -2.15661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20845e+04   -1.73481e+06    3.47625e+05   -1.38719e+06    6.74201e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11980e+02   -2.13311e+02    1.01523e+02    3.36787e-06

           Step           Time
      246415000   492830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57786e+03    1.81334e+04    1.24239e+04    1.07366e+03   -2.84713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49339e+03    1.04027e+05    2.81564e+05   -1.72286e+04   -2.15768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19131e+04   -1.73655e+06    3.45454e+05   -1.39110e+06    6.74599e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10032e+02   -2.12961e+02    4.45657e+01    3.42549e-06

           Step           Time
      246420000   492840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60555e+03    1.84820e+04    1.22452e+04    1.08687e+03   -2.79349e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47857e+03    1.04575e+05    2.80236e+05   -1.71747e+04   -2.15579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18926e+04   -1.73516e+06    3.46628e+05   -1.38853e+06    6.74932e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11085e+02   -2.11631e+02   -5.13444e+01    3.38477e-06

           Step           Time
      246425000   492850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33791e+03    1.82554e+04    1.24911e+04    1.16236e+03   -2.94775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59145e+03    1.04444e+05    2.82046e+05   -1.71800e+04   -2.15943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20130e+04   -1.73722e+06    3.45008e+05   -1.39221e+06    6.75542e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09631e+02   -2.11762e+02    8.39620e+01    3.34349e-06

           Step           Time
      246430000   492860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79395e+03    1.85451e+04    1.25074e+04    1.20311e+03   -2.77179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47040e+03    1.04272e+05    2.80450e+05   -1.71592e+04   -2.15306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19762e+04   -1.73177e+06    3.47373e+05   -1.38440e+06    6.75314e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11754e+02   -2.11250e+02   -5.67743e+01    3.40764e-06

           Step           Time
      246435000   492870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79645e+03    1.84688e+04    1.23233e+04    1.08757e+03   -2.82605e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38498e+03    1.04538e+05    2.81384e+05   -1.71897e+04   -2.15592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20567e+04   -1.73390e+06    3.47985e+05   -1.38591e+06    6.75815e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12303e+02   -2.12001e+02    2.13506e+00    3.28727e-06

           Step           Time
      246440000   492880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66771e+03    1.79283e+04    1.22134e+04    1.12460e+03   -2.86556e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51877e+03    1.04684e+05    2.78786e+05   -1.71952e+04   -2.15332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19025e+04   -1.73455e+06    3.45178e+05   -1.38937e+06    6.75956e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09784e+02   -2.12138e+02   -9.65142e+01    3.35705e-06

           Step           Time
      246445000   492890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55409e+03    1.82409e+04    1.24649e+04    1.11487e+03   -2.88517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47246e+03    1.04511e+05    2.82138e+05   -1.71905e+04   -2.15760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18689e+04   -1.73531e+06    3.47470e+05   -1.38784e+06    6.76290e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11841e+02   -2.12021e+02    3.17812e+01    3.17769e-06

           Step           Time
      246450000   492900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52938e+03    1.82415e+04    1.23336e+04    1.13049e+03   -2.83848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51484e+03    1.04537e+05    2.77587e+05   -1.71649e+04   -2.14960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19578e+04   -1.73177e+06    3.47772e+05   -1.38400e+06    6.76585e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12112e+02   -2.11390e+02   -9.39290e+01    3.40504e-06

           Step           Time
      246455000   492910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54850e+03    1.78410e+04    1.22764e+04    1.06733e+03   -2.88064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38326e+03    1.04556e+05    2.78984e+05   -1.71728e+04   -2.15322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19326e+04   -1.73468e+06    3.45896e+05   -1.38879e+06    6.76888e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10428e+02   -2.11584e+02   -1.11948e+02    3.45402e-06

           Step           Time
      246460000   492920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59657e+03    1.86692e+04    1.23983e+04    1.13921e+03   -2.90909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52458e+03    1.04390e+05    2.81674e+05   -1.72166e+04   -2.15438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20260e+04   -1.73208e+06    3.47940e+05   -1.38414e+06    6.77419e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12263e+02   -2.12665e+02    1.21100e+02    3.26276e-06

           Step           Time
      246465000   492930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85643e+03    1.83423e+04    1.24659e+04    1.08445e+03   -2.86620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32287e+03    1.04178e+05    2.78857e+05   -1.72109e+04   -2.15377e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18329e+04   -1.73490e+06    3.47519e+05   -1.38738e+06    6.77529e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11885e+02   -2.12525e+02   -1.11621e+02    3.43796e-06

           Step           Time
      246470000   492940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47683e+03    1.84958e+04    1.24292e+04    1.17174e+03   -2.90389e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42677e+03    1.04275e+05    2.78645e+05   -1.71739e+04   -2.15127e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22241e+04   -1.73220e+06    3.45319e+05   -1.38688e+06    6.78145e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09911e+02   -2.11613e+02   -5.62957e+01    3.11117e-06

           Step           Time
      246475000   492950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26712e+03    1.76432e+04    1.24873e+04    1.12488e+03   -2.78676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59930e+03    1.05088e+05    2.81310e+05   -1.71653e+04   -2.15582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19413e+04   -1.73431e+06    3.46870e+05   -1.38744e+06    6.78108e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11302e+02   -2.11400e+02    3.35463e+01    3.44239e-06

           Step           Time
      246480000   492960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49807e+03    1.81558e+04    1.23237e+04    1.07160e+03   -2.94149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46570e+03    1.04759e+05    2.82074e+05   -1.71642e+04   -2.15747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18797e+04   -1.73534e+06    3.46785e+05   -1.38856e+06    6.78099e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11226e+02   -2.11374e+02    4.67000e+01    3.34064e-06

           Step           Time
      246485000   492970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53229e+03    1.80984e+04    1.23990e+04    1.13911e+03   -2.83605e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53329e+03    1.04272e+05    2.79510e+05   -1.72154e+04   -2.15534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18971e+04   -1.73601e+06    3.48673e+05   -1.38734e+06    6.78244e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12921e+02   -2.12636e+02   -3.32678e+01    3.44841e-06

           Step           Time
      246490000   492980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77814e+03    1.82380e+04    1.23467e+04    1.12875e+03   -2.92441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42241e+03    1.04553e+05    2.80842e+05   -1.71642e+04   -2.15501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19025e+04   -1.73388e+06    3.47129e+05   -1.38675e+06    6.79286e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11535e+02   -2.11373e+02   -4.04087e+01    3.26026e-06

           Step           Time
      246495000   492990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63323e+03    1.83622e+04    1.22249e+04    1.09332e+03   -2.86075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44721e+03    1.04205e+05    2.81593e+05   -1.71785e+04   -2.15659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19806e+04   -1.73509e+06    3.48265e+05   -1.38683e+06    6.79034e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12554e+02   -2.11725e+02   -3.20549e-02    3.32983e-06

           Step           Time
      246500000   493000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48257e+03    1.85281e+04    1.23988e+04    1.05720e+03   -2.81066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53377e+03    1.04137e+05    2.77666e+05   -1.72028e+04   -2.15126e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20008e+04   -1.73347e+06    3.45993e+05   -1.38747e+06    6.79324e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10515e+02   -2.12325e+02   -4.85288e+01    3.40807e-06

           Step           Time
      246505000   493010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43594e+03    1.83782e+04    1.24352e+04    1.08846e+03   -2.83253e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56550e+03    1.04486e+05    2.79039e+05   -1.71978e+04   -2.15336e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18530e+04   -1.73411e+06    3.47260e+05   -1.38685e+06    6.79495e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11652e+02   -2.12200e+02   -3.10454e+01    3.57078e-06

           Step           Time
      246510000   493020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37609e+03    1.81252e+04    1.23549e+04    1.11396e+03   -2.84146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53748e+03    1.04798e+05    2.81334e+05   -1.71701e+04   -2.15493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18855e+04   -1.73342e+06    3.47268e+05   -1.38615e+06    6.79950e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11659e+02   -2.11519e+02    9.75334e+01    3.62960e-06

           Step           Time
      246515000   493030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53679e+03    1.80461e+04    1.23449e+04    1.14771e+03   -2.94644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41002e+03    1.04688e+05    2.82049e+05   -1.72224e+04   -2.15824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19659e+04   -1.73622e+06    3.45508e+05   -1.39071e+06    6.80321e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10080e+02   -2.12808e+02    3.94996e+01    3.36667e-06

           Step           Time
      246520000   493040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63428e+03    1.82199e+04    1.24850e+04    1.08796e+03   -2.80663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50167e+03    1.04177e+05    2.78229e+05   -1.71990e+04   -2.15352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20694e+04   -1.73512e+06    3.46229e+05   -1.38889e+06    6.80214e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10727e+02   -2.12229e+02   -1.14398e+02    3.40140e-06

           Step           Time
      246525000   493050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56452e+03    1.79659e+04    1.24476e+04    1.03980e+03   -2.90891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49625e+03    1.04591e+05    2.82010e+05   -1.71823e+04   -2.15814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21458e+04   -1.73597e+06    3.45132e+05   -1.39084e+06    6.80539e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09742e+02   -2.11820e+02    5.25036e+01    3.36408e-06

           Step           Time
      246530000   493060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44802e+03    1.77049e+04    1.24150e+04    1.17768e+03   -2.83016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48383e+03    1.04822e+05    2.82100e+05   -1.71683e+04   -2.15739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18681e+04   -1.73537e+06    3.47468e+05   -1.38790e+06    6.80616e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11839e+02   -2.11476e+02    5.47172e+01    3.31170e-06

           Step           Time
      246535000   493070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39980e+03    1.80189e+04    1.25105e+04    1.10171e+03   -2.89878e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44411e+03    1.04531e+05    2.81926e+05   -1.71765e+04   -2.15723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18936e+04   -1.73548e+06    3.48311e+05   -1.38717e+06    6.81071e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12595e+02   -2.11676e+02    2.52216e+01    3.31748e-06

           Step           Time
      246540000   493080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57177e+03    1.87388e+04    1.23379e+04    1.07113e+03   -2.74004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34737e+03    1.04617e+05    2.82295e+05   -1.71731e+04   -2.15782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17416e+04   -1.73501e+06    3.47224e+05   -1.38779e+06    6.81416e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11620e+02   -2.11593e+02    2.59600e+01    3.47886e-06

           Step           Time
      246545000   493090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52731e+03    1.86834e+04    1.24340e+04    1.15124e+03   -2.90427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50672e+03    1.03919e+05    2.79967e+05   -1.71914e+04   -2.15278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18648e+04   -1.73282e+06    3.46813e+05   -1.38601e+06    6.81891e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11251e+02   -2.12045e+02    2.64061e+01    3.50630e-06

           Step           Time
      246550000   493100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58968e+03    1.84881e+04    1.22617e+04    1.05841e+03   -2.88733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43446e+03    1.04051e+05    2.79755e+05   -1.71679e+04   -2.15451e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20183e+04   -1.73491e+06    3.46921e+05   -1.38799e+06    6.81798e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11348e+02   -2.11465e+02   -7.23284e+01    3.36697e-06

           Step           Time
      246555000   493110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59128e+03    1.82165e+04    1.21837e+04    1.07092e+03   -2.72784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49193e+03    1.03614e+05    2.84728e+05   -1.71737e+04   -2.15950e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18572e+04   -1.73564e+06    3.45934e+05   -1.38971e+06    6.82179e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10462e+02   -2.11607e+02    1.38320e+02    3.40984e-06

           Step           Time
      246560000   493120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61820e+03    1.80924e+04    1.24040e+04    1.05207e+03   -2.93882e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42199e+03    1.04467e+05    2.82451e+05   -1.71873e+04   -2.15675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22737e+04   -1.73410e+06    3.45255e+05   -1.38884e+06    6.82381e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09853e+02   -2.11942e+02    8.50693e+01    3.42939e-06

           Step           Time
      246565000   493130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30367e+03    1.84608e+04    1.22245e+04    1.08806e+03   -2.84746e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50825e+03    1.04242e+05    2.79950e+05   -1.72174e+04   -2.15703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20146e+04   -1.73731e+06    3.46891e+05   -1.39042e+06    6.82549e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11321e+02   -2.12685e+02    5.14036e+01    3.30628e-06

           Step           Time
      246570000   493140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43380e+03    1.84525e+04    1.22840e+04    1.07583e+03   -2.79236e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62024e+03    1.04366e+05    2.81675e+05   -1.72285e+04   -2.15904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17689e+04   -1.73738e+06    3.45947e+05   -1.39143e+06    6.83368e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10474e+02   -2.12958e+02    1.48267e+02    3.25996e-06

           Step           Time
      246575000   493150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62096e+03    1.84107e+04    1.22680e+04    1.08083e+03   -2.71600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58584e+03    1.04013e+05    2.81103e+05   -1.71885e+04   -2.15512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21495e+04   -1.73380e+06    3.47169e+05   -1.38663e+06    6.83436e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11571e+02   -2.11972e+02   -1.54465e+00    3.24422e-06

           Step           Time
      246580000   493160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90605e+03    1.80617e+04    1.24258e+04    1.10540e+03   -2.84820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39752e+03    1.04099e+05    2.84353e+05   -1.72091e+04   -2.15901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20682e+04   -1.73465e+06    3.46517e+05   -1.38813e+06    6.83846e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10985e+02   -2.12479e+02    9.01975e+01    3.47378e-06

           Step           Time
      246585000   493170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62223e+03    1.78741e+04    1.24175e+04    1.03230e+03   -2.89845e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40396e+03    1.04471e+05    2.80375e+05   -1.71820e+04   -2.15595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20445e+04   -1.73579e+06    3.46902e+05   -1.38889e+06    6.83856e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11332e+02   -2.11812e+02   -4.55906e+01    3.33614e-06

           Step           Time
      246590000   493180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46986e+03    1.77883e+04    1.22570e+04    1.08281e+03   -2.86427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59117e+03    1.04533e+05    2.83218e+05   -1.71747e+04   -2.15952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18932e+04   -1.73672e+06    3.44074e+05   -1.39265e+06    6.84492e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08793e+02   -2.11632e+02    8.24488e+01    3.20923e-06

           Step           Time
      246595000   493190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51864e+03    1.84951e+04    1.22246e+04    1.05311e+03   -2.87305e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52084e+03    1.04155e+05    2.79346e+05   -1.71966e+04   -2.15358e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20778e+04   -1.73426e+06    3.46316e+05   -1.38794e+06    6.84782e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10805e+02   -2.12173e+02   -7.46613e+00    3.49930e-06

           Step           Time
      246600000   493200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36807e+03    1.83161e+04    1.23527e+04    1.09236e+03   -2.81276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52824e+03    1.04327e+05    2.79844e+05   -1.72378e+04   -2.15581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19634e+04   -1.73607e+06    3.47704e+05   -1.38837e+06    6.84762e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12051e+02   -2.13189e+02    3.80114e+01    3.31430e-06

           Step           Time
      246605000   493210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55618e+03    1.79227e+04    1.23104e+04    1.08158e+03   -2.76630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50227e+03    1.04286e+05    2.80664e+05   -1.71605e+04   -2.15543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20609e+04   -1.73498e+06    3.46580e+05   -1.38840e+06    6.84690e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11042e+02   -2.11282e+02   -3.37294e+01    3.41041e-06

           Step           Time
      246610000   493220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71760e+03    1.78616e+04    1.24863e+04    1.02941e+03   -2.80300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41156e+03    1.04272e+05    2.79893e+05   -1.71414e+04   -2.15341e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21310e+04   -1.73355e+06    3.45893e+05   -1.38766e+06    6.85021e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10426e+02   -2.10814e+02   -1.19321e+02    3.38275e-06

           Step           Time
      246615000   493230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45791e+03    1.81332e+04    1.24840e+04    9.99188e+02   -2.88156e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50801e+03    1.04797e+05    2.81191e+05   -1.71692e+04   -2.15753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18003e+04   -1.73621e+06    3.47211e+05   -1.38900e+06    6.85669e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11608e+02   -2.11497e+02   -3.87293e+01    3.41771e-06

           Step           Time
      246620000   493240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79409e+03    1.83252e+04    1.26026e+04    1.15208e+03   -2.95836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.28289e+03    1.03855e+05    2.80742e+05   -1.71730e+04   -2.15464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19416e+04   -1.73407e+06    3.46593e+05   -1.38748e+06    6.85911e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11054e+02   -2.11589e+02   -8.27332e+01    3.37642e-06

           Step           Time
      246625000   493250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62514e+03    1.81174e+04    1.24276e+04    1.02396e+03   -2.87370e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40754e+03    1.04562e+05    2.82234e+05   -1.71855e+04   -2.15834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19249e+04   -1.73607e+06    3.45042e+05   -1.39103e+06    6.86632e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09661e+02   -2.11899e+02   -2.53537e+01    3.11760e-06

           Step           Time
      246630000   493260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51046e+03    1.83683e+04    1.22911e+04    1.07229e+03   -2.93219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51587e+03    1.04455e+05    2.82071e+05   -1.72330e+04   -2.15755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19274e+04   -1.73550e+06    3.46806e+05   -1.38869e+06    6.86241e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11245e+02   -2.13069e+02    6.47172e+01    3.31813e-06

           Step           Time
      246635000   493270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70606e+03    1.81724e+04    1.25995e+04    1.16482e+03   -2.91722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50592e+03    1.04395e+05    2.81562e+05   -1.71468e+04   -2.15531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20674e+04   -1.73320e+06    3.45815e+05   -1.38739e+06    6.86850e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10356e+02   -2.10945e+02   -1.80083e+01    3.27820e-06

           Step           Time
      246640000   493280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83665e+03    1.83778e+04    1.23290e+04    1.05387e+03   -2.98254e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42760e+03    1.04284e+05    2.83077e+05   -1.71626e+04   -2.15901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20181e+04   -1.73575e+06    3.44891e+05   -1.39086e+06    6.86662e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09527e+02   -2.11335e+02    2.35035e+01    3.23764e-06

           Step           Time
      246645000   493290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39782e+03    1.83682e+04    1.25810e+04    1.11915e+03   -2.92965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48745e+03    1.04154e+05    2.82190e+05   -1.71758e+04   -2.15708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19935e+04   -1.73489e+06    3.46099e+05   -1.38879e+06    6.87110e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10610e+02   -2.11659e+02    8.99726e+00    3.20062e-06

           Step           Time
      246650000   493300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36066e+03    1.84952e+04    1.23594e+04    1.12078e+03   -2.87055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44364e+03    1.04562e+05    2.79488e+05   -1.71991e+04   -2.15653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21139e+04   -1.73665e+06    3.46831e+05   -1.38982e+06    6.87282e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11267e+02   -2.12233e+02   -3.93876e+01    3.30573e-06

           Step           Time
      246655000   493310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92562e+03    1.84063e+04    1.22314e+04    1.08836e+03   -2.87139e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42089e+03    1.04031e+05    2.78381e+05   -1.71767e+04   -2.15039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17320e+04   -1.73222e+06    3.46050e+05   -1.38617e+06    6.87441e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10567e+02   -2.11683e+02   -6.20339e+01    3.45262e-06

Writing checkpoint, step 246657500 at Sat Dec  2 03:38:07 2023


           Step           Time
      246660000   493320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63164e+03    1.83271e+04    1.22456e+04    1.09541e+03   -2.78120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42419e+03    1.04570e+05    2.79878e+05   -1.71920e+04   -2.15629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18922e+04   -1.73620e+06    3.46881e+05   -1.38932e+06    6.87828e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11313e+02   -2.12057e+02   -6.08119e+01    3.32775e-06

           Step           Time
      246665000   493330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62596e+03    1.82651e+04    1.22642e+04    1.00997e+03   -2.85272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54983e+03    1.04266e+05    2.79683e+05   -1.71710e+04   -2.15504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18208e+04   -1.73558e+06    3.43724e+05   -1.39185e+06    6.88331e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08479e+02   -2.11540e+02   -4.74939e+01    3.41034e-06

           Step           Time
      246670000   493340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43500e+03    1.82894e+04    1.22872e+04    1.10006e+03   -2.85431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44260e+03    1.04507e+05    2.81126e+05   -1.71949e+04   -2.15569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20185e+04   -1.73454e+06    3.47038e+05   -1.38750e+06    6.88149e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11453e+02   -2.12131e+02    4.63872e+01    3.36035e-06

           Step           Time
      246675000   493350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74505e+03    1.81568e+04    1.24708e+04    1.06629e+03   -2.99455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48229e+03    1.04257e+05    2.80561e+05   -1.71928e+04   -2.15608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19555e+04   -1.73557e+06    3.46908e+05   -1.38866e+06    6.89058e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11336e+02   -2.12079e+02   -1.94364e+01    3.51800e-06

           Step           Time
      246680000   493360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61711e+03    1.82433e+04    1.23836e+04    1.06529e+03   -2.77401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44768e+03    1.04461e+05    2.80505e+05   -1.71515e+04   -2.15300e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19154e+04   -1.73228e+06    3.46897e+05   -1.38539e+06    6.88870e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11327e+02   -2.11062e+02    5.30164e+01    3.24391e-06

           Step           Time
      246685000   493370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46605e+03    1.79881e+04    1.24815e+04    1.12879e+03   -2.88488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52315e+03    1.04737e+05    2.81731e+05   -1.72295e+04   -2.15910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19190e+04   -1.73724e+06    3.45843e+05   -1.39139e+06    6.89594e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10380e+02   -2.12984e+02   -4.78285e+01    3.28516e-06

           Step           Time
      246690000   493380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62138e+03    1.84773e+04    1.24880e+04    1.07791e+03   -2.97034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49477e+03    1.04316e+05    2.79455e+05   -1.71877e+04   -2.15337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20902e+04   -1.73351e+06    3.46112e+05   -1.38740e+06    6.89978e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10622e+02   -2.11953e+02   -4.78230e+01    3.32684e-06

           Step           Time
      246695000   493390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37240e+03    1.81177e+04    1.24468e+04    1.04355e+03   -2.88690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51072e+03    1.04746e+05    2.81915e+05   -1.72254e+04   -2.15895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19942e+04   -1.73691e+06    3.45377e+05   -1.39154e+06    6.90019e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09962e+02   -2.12881e+02    2.33909e+01    3.39981e-06

           Step           Time
      246700000   493400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62912e+03    1.85696e+04    1.25705e+04    1.11404e+03   -2.90931e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45029e+03    1.04817e+05    2.80481e+05   -1.71602e+04   -2.15522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19711e+04   -1.73369e+06    3.47315e+05   -1.38637e+06    6.90631e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11701e+02   -2.11276e+02   -5.35279e+01    3.29135e-06

           Step           Time
      246705000   493410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53880e+03    1.81217e+04    1.25325e+04    1.12047e+03   -2.81759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52877e+03    1.04549e+05    2.84009e+05   -1.72253e+04   -2.15889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20001e+04   -1.73454e+06    3.47351e+05   -1.38718e+06    6.90770e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11734e+02   -2.12878e+02    2.12868e+02    3.46593e-06

           Step           Time
      246710000   493420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44077e+03    1.82879e+04    1.23270e+04    1.06430e+03   -2.88841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35634e+03    1.04290e+05    2.79256e+05   -1.71884e+04   -2.15576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20324e+04   -1.73678e+06    3.46441e+05   -1.39034e+06    6.90760e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10918e+02   -2.11970e+02   -1.44589e+02    3.29459e-06

           Step           Time
      246715000   493430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73441e+03    1.78179e+04    1.24511e+04    1.08373e+03   -2.86607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59864e+03    1.04126e+05    2.81809e+05   -1.71831e+04   -2.15639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20080e+04   -1.73481e+06    3.46646e+05   -1.38816e+06    6.90802e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11101e+02   -2.11839e+02   -6.86147e-01    3.31582e-06

           Step           Time
      246720000   493440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62977e+03    1.78609e+04    1.24384e+04    1.04918e+03   -2.76184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49633e+03    1.04615e+05    2.81954e+05   -1.72296e+04   -2.15696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21491e+04   -1.73476e+06    3.45201e+05   -1.38956e+06    6.91700e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09805e+02   -2.12984e+02    6.78755e+01    3.42519e-06

           Step           Time
      246725000   493450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74145e+03    1.83850e+04    1.22462e+04    1.05207e+03   -2.92251e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47337e+03    1.03962e+05    2.82779e+05   -1.72121e+04   -2.15831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19166e+04   -1.73589e+06    3.46117e+05   -1.38978e+06    6.91756e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10627e+02   -2.12554e+02    4.35781e+01    3.27506e-06

           Step           Time
      246730000   493460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80899e+03    1.86683e+04    1.23001e+04    1.04966e+03   -3.00076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39004e+03    1.03794e+05    2.78654e+05   -1.71618e+04   -2.15047e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19682e+04   -1.73200e+06    3.49450e+05   -1.38255e+06    6.91675e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13617e+02   -2.11315e+02   -8.42177e+01    3.43025e-06

           Step           Time
      246735000   493470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46989e+03    1.86231e+04    1.23833e+04    1.12625e+03   -2.88238e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49245e+03    1.03980e+05    2.82247e+05   -1.72174e+04   -2.15542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18626e+04   -1.73333e+06    3.46752e+05   -1.38658e+06    6.92166e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11196e+02   -2.12686e+02    8.03274e+01    3.14991e-06

           Step           Time
      246740000   493480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30094e+03    1.82101e+04    1.24658e+04    1.03559e+03   -2.86590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48417e+03    1.04193e+05    2.81529e+05   -1.71456e+04   -2.15583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20015e+04   -1.73462e+06    3.46140e+05   -1.38848e+06    6.92260e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10647e+02   -2.10917e+02   -2.11395e+01    3.55001e-06

           Step           Time
      246745000   493490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55344e+03    1.84355e+04    1.23286e+04    1.03008e+03   -2.87078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39872e+03    1.04015e+05    2.78544e+05   -1.71869e+04   -2.15189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20473e+04   -1.73359e+06    3.47596e+05   -1.38600e+06    6.92759e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11954e+02   -2.11932e+02   -9.87621e+01    3.37472e-06

           Step           Time
      246750000   493500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67158e+03    1.84136e+04    1.24796e+04    1.13777e+03   -2.84485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45206e+03    1.04139e+05    2.80597e+05   -1.71517e+04   -2.15359e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19772e+04   -1.73272e+06    3.44960e+05   -1.38776e+06    6.92984e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09588e+02   -2.11065e+02   -8.86197e+01    3.34603e-06

           Step           Time
      246755000   493510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55934e+03    1.81945e+04    1.22483e+04    1.07514e+03   -2.84588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53620e+03    1.03569e+05    2.81282e+05   -1.71950e+04   -2.15608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19460e+04   -1.73572e+06    3.46610e+05   -1.38911e+06    6.93075e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11069e+02   -2.12133e+02   -1.80409e+01    3.27848e-06

           Step           Time
      246760000   493520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29727e+03    1.84271e+04    1.24765e+04    1.10744e+03   -3.01771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56757e+03    1.04253e+05    2.81908e+05   -1.72202e+04   -2.15767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18864e+04   -1.73599e+06    3.46308e+05   -1.38968e+06    6.93306e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10798e+02   -2.12753e+02    7.06865e+01    3.35895e-06

           Step           Time
      246765000   493530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.17161e+03    1.82131e+04    1.25344e+04    1.08282e+03   -2.99164e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60283e+03    1.04009e+05    2.80776e+05   -1.71872e+04   -2.15762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19434e+04   -1.73746e+06    3.46634e+05   -1.39083e+06    6.93460e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11091e+02   -2.11941e+02   -5.42829e+01    3.35034e-06

           Step           Time
      246770000   493540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57563e+03    1.85672e+04    1.22638e+04    1.08672e+03   -2.81238e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56548e+03    1.03926e+05    2.79441e+05   -1.71779e+04   -2.15469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18515e+04   -1.73540e+06    3.45937e+05   -1.38946e+06    6.94368e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10465e+02   -2.11711e+02   -6.19140e+01    3.32414e-06

           Step           Time
      246775000   493550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77598e+03    1.84414e+04    1.23887e+04    1.12119e+03   -2.87555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39899e+03    1.03670e+05    2.82147e+05   -1.71720e+04   -2.15740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18741e+04   -1.73563e+06    3.47291e+05   -1.38834e+06    6.94164e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11680e+02   -2.11565e+02   -1.53570e+01    3.28046e-06

           Step           Time
      246780000   493560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40521e+03    1.82265e+04    1.23555e+04    1.11599e+03   -2.80993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49354e+03    1.03757e+05    2.79040e+05   -1.72144e+04   -2.15224e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20428e+04   -1.73382e+06    3.47049e+05   -1.38678e+06    6.94519e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11463e+02   -2.12609e+02   -4.59902e+01    3.34338e-06

           Step           Time
      246785000   493570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47798e+03    1.83507e+04    1.24802e+04    1.09030e+03   -2.98583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39614e+03    1.03585e+05    2.80457e+05   -1.71706e+04   -2.15542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21337e+04   -1.73561e+06    3.47146e+05   -1.38846e+06    6.95288e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11550e+02   -2.11530e+02   -9.27321e+01    3.30011e-06

           Step           Time
      246790000   493580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74457e+03    1.82267e+04    1.20855e+04    1.06769e+03   -2.75110e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55233e+03    1.03752e+05    2.82720e+05   -1.72199e+04   -2.15853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18858e+04   -1.73647e+06    3.47427e+05   -1.38904e+06    6.95202e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11802e+02   -2.12746e+02    1.33913e+02    3.47801e-06

           Step           Time
      246795000   493590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66381e+03    1.85319e+04    1.22600e+04    1.11771e+03   -2.85852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51421e+03    1.03879e+05    2.79466e+05   -1.71773e+04   -2.15392e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20690e+04   -1.73445e+06    3.46013e+05   -1.38844e+06    6.95524e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10534e+02   -2.11696e+02   -9.51318e+00    3.40357e-06

           Step           Time
      246800000   493600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63053e+03    1.83548e+04    1.25352e+04    1.05425e+03   -2.86749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48373e+03    1.03998e+05    2.81114e+05   -1.71578e+04   -2.15621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19813e+04   -1.73508e+06    3.46942e+05   -1.38814e+06    6.95902e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11367e+02   -2.11216e+02   -2.94326e+01    3.23580e-06

           Step           Time
      246805000   493610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43428e+03    1.82460e+04    1.23738e+04    1.03145e+03   -2.92647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54705e+03    1.04373e+05    2.81144e+05   -1.71902e+04   -2.15606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19512e+04   -1.73507e+06    3.45628e+05   -1.38944e+06    6.96429e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10188e+02   -2.12014e+02    3.66871e+01    3.26880e-06

           Step           Time
      246810000   493620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56859e+03    1.82887e+04    1.25188e+04    1.07262e+03   -2.88210e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52882e+03    1.03925e+05    2.78579e+05   -1.71890e+04   -2.15138e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20466e+04   -1.73292e+06    3.47256e+05   -1.38566e+06    6.96306e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11648e+02   -2.11985e+02   -4.93693e+01    3.26305e-06

           Step           Time
      246815000   493630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60358e+03    1.82006e+04    1.24366e+04    1.02165e+03   -2.81854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39139e+03    1.04328e+05    2.81442e+05   -1.71698e+04   -2.15533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19788e+04   -1.73391e+06    3.44663e+05   -1.38925e+06    6.96368e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09322e+02   -2.11512e+02   -4.15814e+01    3.45763e-06

           Step           Time
      246820000   493640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.18841e+03    1.80132e+04    1.24185e+04    1.05297e+03   -2.90572e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41855e+03    1.04924e+05    2.79814e+05   -1.72100e+04   -2.15667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18792e+04   -1.73707e+06    3.46073e+05   -1.39100e+06    6.96190e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10587e+02   -2.12503e+02   -1.61455e+01    3.53161e-06

           Step           Time
      246825000   493650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39889e+03    1.86374e+04    1.22732e+04    1.03552e+03   -2.79747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40537e+03    1.04195e+05    2.80720e+05   -1.72557e+04   -2.15607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21444e+04   -1.73531e+06    3.44399e+05   -1.39091e+06    6.97521e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09084e+02   -2.13632e+02    5.26522e+01    3.53736e-06

           Step           Time
      246830000   493660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40414e+03    1.82397e+04    1.24784e+04    1.05232e+03   -2.82461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42606e+03    1.03979e+05    2.80159e+05   -1.71901e+04   -2.15670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19924e+04   -1.73698e+06    3.46928e+05   -1.39006e+06    6.97560e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11355e+02   -2.12011e+02   -5.52507e+01    3.26872e-06

           Step           Time
      246835000   493670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32579e+03    1.84814e+04    1.24333e+04    1.06225e+03   -2.86029e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43600e+03    1.04415e+05    2.81184e+05   -1.71788e+04   -2.15638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20140e+04   -1.73507e+06    3.45562e+05   -1.38950e+06    6.97664e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10129e+02   -2.11734e+02   -4.66623e+01    3.28630e-06

           Step           Time
      246840000   493680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71953e+03    1.82346e+04    1.23609e+04    1.13520e+03   -2.80940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56854e+03    1.03872e+05    2.77314e+05   -1.71593e+04   -2.14771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20611e+04   -1.73042e+06    3.45701e+05   -1.38472e+06    6.98336e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10253e+02   -2.11253e+02   -9.91254e+01    3.30313e-06

           Step           Time
      246845000   493690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40980e+03    1.81091e+04    1.22140e+04    1.12068e+03   -2.80146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56138e+03    1.04105e+05    2.78347e+05   -1.72257e+04   -2.15232e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20160e+04   -1.73446e+06    3.46885e+05   -1.38758e+06    6.98415e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11316e+02   -2.12889e+02   -2.39601e+01    3.37551e-06

           Step           Time
      246850000   493700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.16649e+03    1.82212e+04    1.23205e+04    1.08910e+03   -2.67813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53664e+03    1.04413e+05    2.81029e+05   -1.71964e+04   -2.15865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21483e+04   -1.73760e+06    3.47220e+05   -1.39038e+06    6.98979e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11616e+02   -2.12167e+02    2.47104e+01    3.35190e-06

           Step           Time
      246855000   493710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38486e+03    1.82116e+04    1.23979e+04    1.13625e+03   -2.88781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46247e+03    1.04271e+05    2.81051e+05   -1.72394e+04   -2.15745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18764e+04   -1.73679e+06    3.47229e+05   -1.38956e+06    6.98976e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11625e+02   -2.13227e+02    1.02951e+01    3.48554e-06

           Step           Time
      246860000   493720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88058e+03    1.82899e+04    1.24256e+04    1.13015e+03   -2.77658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36010e+03    1.04235e+05    2.81948e+05   -1.72015e+04   -2.15663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19214e+04   -1.73442e+06    3.47487e+05   -1.38693e+06    6.99098e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11856e+02   -2.12291e+02    5.03657e+00    3.36738e-06

           Step           Time
      246865000   493730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68381e+03    1.83851e+04    1.23360e+04    1.05781e+03   -2.87643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49211e+03    1.04022e+05    2.79777e+05   -1.71807e+04   -2.15529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21432e+04   -1.73545e+06    3.46248e+05   -1.38920e+06    6.99770e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10744e+02   -2.11780e+02   -4.32332e+01    3.39274e-06

           Step           Time
      246870000   493740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46786e+03    1.83586e+04    1.24088e+04    1.08974e+03   -2.74103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49692e+03    1.04391e+05    2.81543e+05   -1.72088e+04   -2.15598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21561e+04   -1.73402e+06    3.46971e+05   -1.38705e+06    6.99936e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11393e+02   -2.12472e+02    9.99519e+01    3.44768e-06

           Step           Time
      246875000   493750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76213e+03    1.84507e+04    1.23147e+04    1.02569e+03   -2.79034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36670e+03    1.03822e+05    2.81224e+05   -1.71772e+04   -2.15687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19726e+04   -1.73590e+06    3.47083e+05   -1.38881e+06    7.00035e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11493e+02   -2.11694e+02   -9.28745e+00    3.34563e-06

           Step           Time
      246880000   493760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64912e+03    1.81828e+04    1.23664e+04    1.12498e+03   -2.74645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45690e+03    1.03695e+05    2.81191e+05   -1.72345e+04   -2.15672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20188e+04   -1.73601e+06    3.46570e+05   -1.38944e+06    7.00606e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11033e+02   -2.13106e+02    3.06018e+01    3.27007e-06

           Step           Time
      246885000   493770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64716e+03    1.82354e+04    1.23303e+04    1.03571e+03   -2.80899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51152e+03    1.04055e+05    2.79836e+05   -1.72067e+04   -2.15446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18185e+04   -1.73501e+06    3.46342e+05   -1.38867e+06    7.00746e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10828e+02   -2.12421e+02    8.46333e+00    3.19499e-06

           Step           Time
      246890000   493780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32848e+03    1.83671e+04    1.24851e+04    1.07231e+03   -2.82587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58192e+03    1.04237e+05    2.80857e+05   -1.71610e+04   -2.15496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20759e+04   -1.73394e+06    3.47127e+05   -1.38682e+06    7.01248e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11533e+02   -2.11295e+02    7.75818e+00    3.46236e-06

           Step           Time
      246895000   493790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37943e+03    1.81423e+04    1.22892e+04    1.04023e+03   -2.83812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63581e+03    1.03518e+05    2.80472e+05   -1.72263e+04   -2.15784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17609e+04   -1.73867e+06    3.46101e+05   -1.39257e+06    7.01286e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10612e+02   -2.12903e+02   -3.08264e+00    3.32993e-06

           Step           Time
      246900000   493800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45813e+03    1.78187e+04    1.22687e+04    1.06282e+03   -2.77302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57413e+03    1.04052e+05    2.80698e+05   -1.72269e+04   -2.15868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19535e+04   -1.73880e+06    3.46890e+05   -1.39191e+06    7.01324e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11320e+02   -2.12920e+02   -1.52560e+01    3.47635e-06

           Step           Time
      246905000   493810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51027e+03    1.80485e+04    1.25317e+04    1.11247e+03   -2.91840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51169e+03    1.04199e+05    2.81520e+05   -1.71928e+04   -2.15712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20810e+04   -1.73572e+06    3.44577e+05   -1.39114e+06    7.02231e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09245e+02   -2.12079e+02    3.08357e+01    3.29717e-06

           Step           Time
      246910000   493820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23357e+03    1.80414e+04    1.21924e+04    1.04710e+03   -2.75387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50375e+03    1.04562e+05    2.83901e+05   -1.72187e+04   -2.16090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18891e+04   -1.73751e+06    3.46940e+05   -1.39057e+06    7.02532e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11365e+02   -2.12716e+02    1.26619e+02    3.29758e-06

           Step           Time
      246915000   493830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34579e+03    1.83271e+04    1.24812e+04    1.16185e+03   -2.82617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67466e+03    1.04020e+05    2.82514e+05   -1.71908e+04   -2.15675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19419e+04   -1.73430e+06    3.47010e+05   -1.38729e+06    7.03039e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11428e+02   -2.12028e+02    1.50519e+02    3.24516e-06

           Step           Time
      246920000   493840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50248e+03    1.82595e+04    1.23555e+04    1.06885e+03   -2.80567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59860e+03    1.03374e+05    2.82878e+05   -1.72104e+04   -2.15678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19929e+04   -1.73476e+06    3.47155e+05   -1.38761e+06    7.02908e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11558e+02   -2.12511e+02    1.05637e+02    3.40155e-06

           Step           Time
      246925000   493850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84229e+03    1.81862e+04    1.23389e+04    1.16363e+03   -2.76136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57081e+03    1.03836e+05    2.81364e+05   -1.72171e+04   -2.15897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19602e+04   -1.73768e+06    3.47896e+05   -1.38979e+06    7.03205e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12223e+02   -2.12676e+02   -1.10288e+01    3.35483e-06

           Step           Time
      246930000   493860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52122e+03    1.83675e+04    1.23351e+04    1.11227e+03   -2.77764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49306e+03    1.03612e+05    2.82706e+05   -1.71940e+04   -2.15832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19919e+04   -1.73616e+06    3.47885e+05   -1.38827e+06    7.03625e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12213e+02   -2.12108e+02    5.36322e+01    3.52795e-06

           Step           Time
      246935000   493870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44334e+03    1.78491e+04    1.24118e+04    1.04221e+03   -2.85096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58585e+03    1.04106e+05    2.81157e+05   -1.71671e+04   -2.15743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20368e+04   -1.73682e+06    3.46510e+05   -1.39031e+06    7.03310e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10980e+02   -2.11446e+02   -3.46584e+01    3.45096e-06

           Step           Time
      246940000   493880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47473e+03    1.80510e+04    1.23658e+04    1.12106e+03   -2.92192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52973e+03    1.04553e+05    2.79695e+05   -1.71902e+04   -2.15391e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21179e+04   -1.73412e+06    3.47482e+05   -1.38663e+06    7.03781e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11852e+02   -2.12013e+02   -1.18761e+01    3.29549e-06

           Step           Time
      246945000   493890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39446e+03    1.81859e+04    1.25269e+04    1.08811e+03   -2.78398e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62247e+03    1.04556e+05    2.81116e+05   -1.71318e+04   -2.15484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22363e+04   -1.73303e+06    3.45204e+05   -1.38783e+06    7.04156e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09807e+02   -2.10578e+02    2.55654e+00    3.31216e-06

           Step           Time
      246950000   493900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60607e+03    1.83856e+04    1.24789e+04    1.05709e+03   -2.76516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44165e+03    1.03680e+05    2.79891e+05   -1.71785e+04   -2.15378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18268e+04   -1.73436e+06    3.46617e+05   -1.38774e+06    7.04249e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11075e+02   -2.11726e+02   -2.28467e+01    3.36378e-06

           Step           Time
      246955000   493910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78122e+03    1.79048e+04    1.24278e+04    1.09146e+03   -2.91660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59906e+03    1.04287e+05    2.78498e+05   -1.71602e+04   -2.15117e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21390e+04   -1.73252e+06    3.44592e+05   -1.38792e+06    7.04664e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09258e+02   -2.11275e+02   -8.19183e+01    3.32668e-06

           Step           Time
      246960000   493920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24221e+03    1.82127e+04    1.25155e+04    1.08904e+03   -2.85956e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55342e+03    1.04053e+05    2.83109e+05   -1.71615e+04   -2.15852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20707e+04   -1.73569e+06    3.47208e+05   -1.38849e+06    7.05046e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11606e+02   -2.11307e+02    3.93375e+01    3.28704e-06

           Step           Time
      246965000   493930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50604e+03    1.81019e+04    1.22326e+04    1.05411e+03   -2.87281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59169e+03    1.04101e+05    2.82224e+05   -1.72057e+04   -2.15855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19757e+04   -1.73684e+06    3.44985e+05   -1.39186e+06    7.05311e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09611e+02   -2.12395e+02    3.99816e+01    3.23632e-06

           Step           Time
      246970000   493940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67602e+03    1.81991e+04    1.24190e+04    1.07303e+03   -2.81010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61194e+03    1.03898e+05    2.82951e+05   -1.72088e+04   -2.15857e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20186e+04   -1.73574e+06    3.45739e+05   -1.39001e+06    7.05818e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10287e+02   -2.12471e+02    1.03068e+02    3.16421e-06

           Step           Time
      246975000   493950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52303e+03    1.84817e+04    1.21757e+04    1.08952e+03   -2.82640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45266e+03    1.04384e+05    2.82073e+05   -1.72245e+04   -2.15795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19339e+04   -1.73588e+06    3.47377e+05   -1.38851e+06    7.05695e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11758e+02   -2.12860e+02    6.69517e+01    3.31442e-06

           Step           Time
      246980000   493960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60341e+03    1.81356e+04    1.22569e+04    1.16306e+03   -2.87869e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51437e+03    1.04238e+05    2.82094e+05   -1.72239e+04   -2.15686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20388e+04   -1.73492e+06    3.46232e+05   -1.38869e+06    7.06216e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10730e+02   -2.12844e+02    6.58712e+01    3.25524e-06

           Step           Time
      246985000   493970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44761e+03    1.82567e+04    1.22815e+04    9.66933e+02   -2.82046e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52419e+03    1.03717e+05    2.80882e+05   -1.71616e+04   -2.15304e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19388e+04   -1.73301e+06    3.46379e+05   -1.38663e+06    7.06070e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10862e+02   -2.11310e+02    2.50816e+01    3.26618e-06

           Step           Time
      246990000   493980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78521e+03    1.80696e+04    1.24468e+04    1.07950e+03   -2.86273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48348e+03    1.04185e+05    2.81664e+05   -1.71812e+04   -2.15611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19081e+04   -1.73453e+06    3.49223e+05   -1.38531e+06    7.06135e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13414e+02   -2.11791e+02    1.12452e+01    3.52620e-06

           Step           Time
      246995000   493990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54017e+03    1.79373e+04    1.23485e+04    1.09687e+03   -2.84585e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50185e+03    1.04119e+05    2.83520e+05   -1.71607e+04   -2.15931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20634e+04   -1.73619e+06    3.46414e+05   -1.38978e+06    7.06712e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10893e+02   -2.11287e+02    8.32203e+01    3.35381e-06

           Step           Time
      247000000   494000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53446e+03    1.80691e+04    1.23487e+04    1.09397e+03   -2.82884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59337e+03    1.04143e+05    2.81564e+05   -1.71547e+04   -2.15614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19374e+04   -1.73484e+06    3.47302e+05   -1.38754e+06    7.07200e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11690e+02   -2.11141e+02    4.64678e+01    3.23311e-06

           Step           Time
      247005000   494010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43924e+03    1.80975e+04    1.23929e+04    1.15083e+03   -2.76364e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54405e+03    1.03713e+05    2.79629e+05   -1.71891e+04   -2.15239e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19337e+04   -1.73344e+06    3.45580e+05   -1.38786e+06    7.07448e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10145e+02   -2.11986e+02    2.26143e+01    3.39539e-06

           Step           Time
      247010000   494020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45130e+03    1.80016e+04    1.26000e+04    1.15598e+03   -2.88479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47972e+03    1.04564e+05    2.83933e+05   -1.71844e+04   -2.16220e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21219e+04   -1.73796e+06    3.47181e+05   -1.39078e+06    7.07635e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11581e+02   -2.11871e+02    1.05634e+02    3.14789e-06

           Step           Time
      247015000   494030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43385e+03    1.80542e+04    1.24028e+04    1.06203e+03   -2.89294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48101e+03    1.04110e+05    2.79992e+05   -1.72200e+04   -2.15516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19076e+04   -1.73583e+06    3.46451e+05   -1.38938e+06    7.07799e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10927e+02   -2.12749e+02    5.12899e+01    3.21863e-06

           Step           Time
      247020000   494040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49863e+03    1.81260e+04    1.24353e+04    1.15225e+03   -2.93606e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41431e+03    1.03952e+05    2.81466e+05   -1.71969e+04   -2.15559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19499e+04   -1.73473e+06    3.44719e+05   -1.39001e+06    7.08395e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09372e+02   -2.12179e+02    3.34971e+01    3.13442e-06

           Step           Time
      247025000   494050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59240e+03    1.79741e+04    1.22638e+04    1.05002e+03   -2.85077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46341e+03    1.04095e+05    2.80514e+05   -1.71694e+04   -2.15477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19359e+04   -1.73490e+06    3.45569e+05   -1.38933e+06    7.08726e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10135e+02   -2.11501e+02   -2.80521e+01    3.13820e-06

           Step           Time
      247030000   494060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61693e+03    1.83878e+04    1.23385e+04    1.06534e+03   -2.88955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50702e+03    1.04522e+05    2.81389e+05   -1.71670e+04   -2.15636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19640e+04   -1.73462e+06    3.46630e+05   -1.38799e+06    7.09242e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11087e+02   -2.11442e+02    7.57212e+00    3.20505e-06

           Step           Time
      247035000   494070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52415e+03    1.83372e+04    1.25180e+04    9.90047e+02   -2.88729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59117e+03    1.03803e+05    2.80434e+05   -1.72406e+04   -2.15336e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19301e+04   -1.73336e+06    3.44133e+05   -1.38922e+06    7.09450e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08846e+02   -2.13257e+02    4.94788e+01    3.31837e-06

           Step           Time
      247040000   494080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48145e+03    1.80343e+04    1.23938e+04    1.09316e+03   -2.80164e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47666e+03    1.03992e+05    2.80599e+05   -1.71752e+04   -2.15672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20076e+04   -1.73662e+06    3.45593e+05   -1.39103e+06    7.09434e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10157e+02   -2.11645e+02   -6.16748e+01    3.24223e-06

           Step           Time
      247045000   494090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61617e+03    1.84786e+04    1.25370e+04    1.14674e+03   -2.92984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53836e+03    1.04167e+05    2.80078e+05   -1.72187e+04   -2.15363e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19701e+04   -1.73325e+06    3.47778e+05   -1.38547e+06    7.09752e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12117e+02   -2.12717e+02   -1.62236e+00    3.29540e-06

           Step           Time
      247050000   494100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44487e+03    1.82525e+04    1.23355e+04    1.05811e+03   -2.71306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48026e+03    1.04119e+05    2.81792e+05   -1.71581e+04   -2.15615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21112e+04   -1.73443e+06    3.45287e+05   -1.38915e+06    7.10082e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09881e+02   -2.11224e+02    5.24969e+00    3.24229e-06

           Step           Time
      247055000   494110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61667e+03    1.82314e+04    1.23698e+04    1.20275e+03   -2.84727e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47583e+03    1.04354e+05    2.79308e+05   -1.71948e+04   -2.15465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20213e+04   -1.73511e+06    3.47310e+05   -1.38780e+06    7.10678e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11697e+02   -2.12126e+02   -4.59522e+01    3.20568e-06

           Step           Time
      247060000   494120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72942e+03    1.80789e+04    1.23341e+04    1.07135e+03   -2.79848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48616e+03    1.04541e+05    2.78966e+05   -1.71607e+04   -2.15329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21585e+04   -1.73388e+06    3.47798e+05   -1.38608e+06    7.10911e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12135e+02   -2.11289e+02   -9.52057e+01    3.18876e-06

           Step           Time
      247065000   494130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50446e+03    1.85457e+04    1.23124e+04    1.06810e+03   -2.84447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50774e+03    1.04206e+05    2.80177e+05   -1.71736e+04   -2.15409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19772e+04   -1.73381e+06    3.48082e+05   -1.38573e+06    7.10925e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12390e+02   -2.11605e+02    6.82370e-01    3.33045e-06

           Step           Time
      247070000   494140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30196e+03    1.81007e+04    1.23359e+04    1.06837e+03   -2.83567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48011e+03    1.04604e+05    2.83020e+05   -1.72488e+04   -2.16053e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20796e+04   -1.73762e+06    3.45910e+05   -1.39171e+06    7.11808e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10440e+02   -2.13461e+02    1.06166e+02    3.42423e-06

           Step           Time
      247075000   494150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33978e+03    1.81632e+04    1.23695e+04    1.07911e+03   -2.92920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49503e+03    1.04676e+05    2.83321e+05   -1.71798e+04   -2.15822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19608e+04   -1.73492e+06    3.46745e+05   -1.38818e+06    7.11369e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11190e+02   -2.11758e+02    1.27735e+02    3.23585e-06

           Step           Time
      247080000   494160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72192e+03    1.84123e+04    1.22629e+04    1.13677e+03   -2.87556e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42289e+03    1.04275e+05    2.80347e+05   -1.71446e+04   -2.15426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20073e+04   -1.73370e+06    3.49891e+05   -1.38381e+06    7.11574e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14014e+02   -2.10892e+02   -6.79011e+01    3.31115e-06

           Step           Time
      247085000   494170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82727e+03    1.84425e+04    1.24444e+04    1.08959e+03   -2.92327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49604e+03    1.04519e+05    2.82656e+05   -1.71561e+04   -2.15809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19524e+04   -1.73474e+06    3.47298e+05   -1.38744e+06    7.12662e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11686e+02   -2.11174e+02    4.46422e+01    3.23908e-06

           Step           Time
      247090000   494180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37714e+03    1.78681e+04    1.23514e+04    1.13804e+03   -2.91821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44983e+03    1.04810e+05    2.80309e+05   -1.72057e+04   -2.15865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19772e+04   -1.73849e+06    3.46063e+05   -1.39243e+06    7.12211e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10578e+02   -2.12395e+02   -4.68674e+01    3.19774e-06

           Step           Time
      247095000   494190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36449e+03    1.81379e+04    1.23933e+04    1.01498e+03   -2.94667e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41871e+03    1.04938e+05    2.81406e+05   -1.72154e+04   -2.15673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19940e+04   -1.73522e+06    3.45244e+05   -1.38998e+06    7.12578e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09843e+02   -2.12634e+02    2.12859e+01    3.18574e-06

           Step           Time
      247100000   494200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59009e+03    1.82646e+04    1.24015e+04    1.08214e+03   -2.85820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44415e+03    1.04509e+05    2.81495e+05   -1.72332e+04   -2.15804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21722e+04   -1.73617e+06    3.45422e+05   -1.39075e+06    7.13254e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10003e+02   -2.13074e+02    3.10194e+01    3.22462e-06

           Step           Time
      247105000   494210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42094e+03    1.84348e+04    1.21651e+04    1.04918e+03   -2.96848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38413e+03    1.04568e+05    2.80875e+05   -1.72032e+04   -2.15798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19810e+04   -1.73728e+06    3.47397e+05   -1.38988e+06    7.13329e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11775e+02   -2.12334e+02   -7.00910e+01    3.34099e-06

           Step           Time
      247110000   494220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42201e+03    1.81970e+04    1.23960e+04    1.06212e+03   -3.04459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52797e+03    1.04505e+05    2.79972e+05   -1.71588e+04   -2.15436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22635e+04   -1.73422e+06    3.46207e+05   -1.38801e+06    7.13565e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10707e+02   -2.11241e+02   -6.84433e+01    3.39780e-06

           Step           Time
      247115000   494230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50885e+03    1.82136e+04    1.23637e+04    1.03811e+03   -2.84227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53392e+03    1.04491e+05    2.79554e+05   -1.71730e+04   -2.15390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21341e+04   -1.73408e+06    3.47239e+05   -1.38684e+06    7.13580e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11633e+02   -2.11590e+02   -9.57754e+01    3.50941e-06

           Step           Time
      247120000   494240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81436e+03    1.84131e+04    1.19642e+04    1.10061e+03   -2.87768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42254e+03    1.04287e+05    2.80049e+05   -1.72049e+04   -2.15513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19233e+04   -1.73524e+06    3.46133e+05   -1.38910e+06    7.14396e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10641e+02   -2.12375e+02   -5.34901e+01    3.21226e-06

           Step           Time
      247125000   494250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47746e+03    1.82078e+04    1.23624e+04    1.12401e+03   -2.92044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52458e+03    1.04897e+05    2.80996e+05   -1.72331e+04   -2.15728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21927e+04   -1.73565e+06    3.45862e+05   -1.38979e+06    7.14429e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10398e+02   -2.13071e+02    2.13818e+01    3.32217e-06

           Step           Time
      247130000   494260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25701e+03    1.80577e+04    1.23294e+04    1.08402e+03   -2.86635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60182e+03    1.04578e+05    2.79625e+05   -1.71817e+04   -2.15537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20453e+04   -1.73584e+06    3.46146e+05   -1.38970e+06    7.14820e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10653e+02   -2.11806e+02   -7.53752e+00    3.39218e-06

           Step           Time
      247135000   494270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46730e+03    1.82359e+04    1.22890e+04    1.00987e+03   -2.87588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32661e+03    1.04481e+05    2.80330e+05   -1.72207e+04   -2.15580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19148e+04   -1.73584e+06    3.46192e+05   -1.38965e+06    7.15084e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10694e+02   -2.12767e+02    9.21964e+00    3.30165e-06

           Step           Time
      247140000   494280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62508e+03    1.83057e+04    1.24792e+04    1.15343e+03   -2.78222e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49749e+03    1.03792e+05    2.80265e+05   -1.71846e+04   -2.15356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21103e+04   -1.73330e+06    3.46545e+05   -1.38676e+06    7.15439e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11011e+02   -2.11876e+02   -2.42181e+01    3.46440e-06

           Step           Time
      247145000   494290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59832e+03    1.80809e+04    1.24528e+04    1.02117e+03   -2.81787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47910e+03    1.04467e+05    2.82871e+05   -1.72209e+04   -2.15871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18332e+04   -1.73595e+06    3.47786e+05   -1.38816e+06    7.15428e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12124e+02   -2.12771e+02    9.43612e+01    3.41027e-06

           Step           Time
      247150000   494300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35234e+03    1.85734e+04    1.23008e+04    1.05256e+03   -2.82114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56280e+03    1.04519e+05    2.81109e+05   -1.71928e+04   -2.15602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18361e+04   -1.73473e+06    3.46596e+05   -1.38813e+06    7.15555e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11056e+02   -2.12078e+02    5.49839e+01    3.45307e-06

           Step           Time
      247155000   494310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49804e+03    1.81254e+04    1.23669e+04    9.52639e+02   -2.80687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49454e+03    1.04678e+05    2.79048e+05   -1.71568e+04   -2.15472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19765e+04   -1.73555e+06    3.45142e+05   -1.39041e+06    7.15919e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09751e+02   -2.11193e+02   -1.05798e+02    3.06279e-06

           Step           Time
      247160000   494320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80934e+03    1.84596e+04    1.22099e+04    1.09160e+03   -2.85446e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41463e+03    1.04489e+05    2.80668e+05   -1.71637e+04   -2.15387e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20690e+04   -1.73267e+06    3.47465e+05   -1.38521e+06    7.16401e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11836e+02   -2.11361e+02   -7.76735e+01    3.23528e-06

           Step           Time
      247165000   494330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25247e+03    1.83870e+04    1.22677e+04    1.04055e+03   -2.73123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54783e+03    1.04276e+05    2.79328e+05   -1.71918e+04   -2.15365e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20496e+04   -1.73442e+06    3.44557e+05   -1.38986e+06    7.16751e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09227e+02   -2.12054e+02   -2.45860e+01    3.39088e-06

           Step           Time
      247170000   494340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35308e+03    1.80592e+04    1.23207e+04    1.08180e+03   -2.84283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48508e+03    1.04898e+05    2.82091e+05   -1.71785e+04   -2.15745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19933e+04   -1.73519e+06    3.46281e+05   -1.38891e+06    7.17164e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10774e+02   -2.11726e+02    6.48212e+01    3.29949e-06

           Step           Time
      247175000   494350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40055e+03    1.80671e+04    1.22887e+04    1.01179e+03   -2.81651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53254e+03    1.05076e+05    2.80142e+05   -1.71709e+04   -2.15584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.16892e+04   -1.73562e+06    3.45132e+05   -1.39049e+06    7.17672e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09742e+02   -2.11540e+02   -3.13814e+01    3.21298e-06

           Step           Time
      247180000   494360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43428e+03    1.84952e+04    1.24378e+04    1.01261e+03   -2.80994e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54137e+03    1.04716e+05    2.82811e+05   -1.72206e+04   -2.15650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20303e+04   -1.73305e+06    3.46264e+05   -1.38678e+06    7.17856e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10759e+02   -2.12763e+02    1.61370e+02    3.25482e-06

           Step           Time
      247185000   494370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66219e+03    1.83584e+04    1.23185e+04    1.08784e+03   -2.81198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54038e+03    1.04470e+05    2.82511e+05   -1.71903e+04   -2.15866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19795e+04   -1.73573e+06    3.48288e+05   -1.38745e+06    7.18029e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12575e+02   -2.12017e+02    4.88834e+01    3.31882e-06

           Step           Time
      247190000   494380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46278e+03    1.82327e+04    1.23071e+04    1.03416e+03   -2.78197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58273e+03    1.04520e+05    2.79730e+05   -1.72279e+04   -2.15423e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19018e+04   -1.73446e+06    3.46821e+05   -1.38764e+06    7.18081e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11258e+02   -2.12943e+02    3.81584e+01    3.38475e-06

           Step           Time
      247195000   494390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50937e+03    1.85073e+04    1.24682e+04    1.08332e+03   -2.85938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52841e+03    1.04538e+05    2.79685e+05   -1.71775e+04   -2.15259e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17393e+04   -1.73257e+06    3.46518e+05   -1.38606e+06    7.18586e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10986e+02   -2.11701e+02   -3.72020e+01    3.32144e-06

           Step           Time
      247200000   494400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62054e+03    1.83988e+04    1.24683e+04    1.11541e+03   -2.89199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51032e+03    1.04338e+05    2.78945e+05   -1.71561e+04   -2.15150e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19492e+04   -1.73220e+06    3.45826e+05   -1.38638e+06    7.18902e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10366e+02   -2.11174e+02   -1.08239e+02    3.35910e-06

           Step           Time
      247205000   494410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44338e+03    1.84097e+04    1.20891e+04    1.04798e+03   -2.82491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52950e+03    1.04087e+05    2.80816e+05   -1.72180e+04   -2.15553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21234e+04   -1.73503e+06    3.47166e+05   -1.38786e+06    7.18968e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11568e+02   -2.12700e+02    8.07580e+00    3.45540e-06

           Step           Time
      247210000   494420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66683e+03    1.85383e+04    1.24837e+04    1.08678e+03   -2.84157e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40311e+03    1.04132e+05    2.81578e+05   -1.71567e+04   -2.15671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20388e+04   -1.73478e+06    3.48173e+05   -1.38660e+06    7.19782e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12472e+02   -2.11190e+02   -1.74602e+01    3.37692e-06

           Step           Time
      247215000   494430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68713e+03    1.76007e+04    1.23847e+04    1.14628e+03   -2.91131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37318e+03    1.04746e+05    2.82179e+05   -1.71895e+04   -2.15852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19594e+04   -1.73654e+06    3.46813e+05   -1.38973e+06    7.19451e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11251e+02   -2.11997e+02    2.05439e+00    3.27137e-06

           Step           Time
      247220000   494440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39357e+03    1.80791e+04    1.23140e+04    1.11990e+03   -2.91407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40523e+03    1.04724e+05    2.82508e+05   -1.71767e+04   -2.15852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17875e+04   -1.73628e+06    3.43512e+05   -1.39276e+06    7.20031e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08289e+02   -2.11681e+02   -3.01352e+01    3.23498e-06

           Step           Time
      247225000   494450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56092e+03    1.81603e+04    1.23695e+04    1.10513e+03   -2.71275e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47580e+03    1.04372e+05    2.78821e+05   -1.72100e+04   -2.15210e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19917e+04   -1.73317e+06    3.45320e+05   -1.38785e+06    7.20245e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09911e+02   -2.12502e+02   -9.32823e+01    3.36846e-06

           Step           Time
      247230000   494460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66926e+03    1.86380e+04    1.22757e+04    1.08648e+03   -2.73546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43175e+03    1.04363e+05    2.80157e+05   -1.71904e+04   -2.15616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21173e+04   -1.73535e+06    3.48932e+05   -1.38642e+06    7.20271e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13153e+02   -2.12020e+02   -6.82062e+01    3.33023e-06

           Step           Time
      247235000   494470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82079e+03    1.83291e+04    1.22522e+04    1.05195e+03   -2.83447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55731e+03    1.04544e+05    2.80164e+05   -1.71787e+04   -2.15521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19323e+04   -1.73457e+06    3.46430e+05   -1.38814e+06    7.20609e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10907e+02   -2.11731e+02   -8.75133e+01    3.31140e-06

           Step           Time
      247240000   494480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48618e+03    1.82310e+04    1.23502e+04    1.09628e+03   -2.84163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68054e+03    1.04545e+05    2.80919e+05   -1.72443e+04   -2.15587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19932e+04   -1.73466e+06    3.48279e+05   -1.38638e+06    7.20952e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12567e+02   -2.13348e+02    1.20525e+02    3.41800e-06

           Step           Time
      247245000   494490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46812e+03    1.81649e+04    1.23322e+04    1.07499e+03   -2.91606e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32274e+03    1.04567e+05    2.81498e+05   -1.72355e+04   -2.15843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20141e+04   -1.73714e+06    3.46867e+05   -1.39027e+06    7.20976e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11300e+02   -2.13131e+02    1.62474e+01    3.47973e-06

           Step           Time
      247250000   494500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58030e+03    1.84437e+04    1.22718e+04    1.14026e+03   -2.70620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50165e+03    1.04308e+05    2.79198e+05   -1.71629e+04   -2.15294e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19597e+04   -1.73341e+06    3.46035e+05   -1.38737e+06    7.21555e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10553e+02   -2.11343e+02   -1.88164e+01    3.34526e-06

           Step           Time
      247255000   494510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59192e+03    1.85352e+04    1.23887e+04    1.08003e+03   -2.86284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39500e+03    1.04495e+05    2.80465e+05   -1.71723e+04   -2.15518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20860e+04   -1.73418e+06    3.46317e+05   -1.38786e+06    7.21541e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10806e+02   -2.11572e+02    1.07481e-01    3.30946e-06

           Step           Time
      247260000   494520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47480e+03    1.81207e+04    1.22658e+04    1.03884e+03   -2.86242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56062e+03    1.04815e+05    2.82236e+05   -1.71556e+04   -2.15890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20165e+04   -1.73639e+06    3.45691e+05   -1.39070e+06    7.22205e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10244e+02   -2.11163e+02    2.80839e+00    3.30559e-06

           Step           Time
      247265000   494530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34065e+03    1.83137e+04    1.22756e+04    9.78967e+02   -2.72649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50568e+03    1.04444e+05    2.80606e+05   -1.71724e+04   -2.15660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19158e+04   -1.73612e+06    3.44829e+05   -1.39129e+06    7.22490e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09470e+02   -2.11575e+02   -1.78502e+00    3.36938e-06

           Step           Time
      247270000   494540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70901e+03    1.82818e+04    1.24451e+04    1.05629e+03   -2.84294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48437e+03    1.03936e+05    2.82047e+05   -1.71333e+04   -2.15551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22825e+04   -1.73325e+06    3.46550e+05   -1.38670e+06    7.22775e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11015e+02   -2.10614e+02   -4.34335e+00    3.36541e-06

           Step           Time
      247275000   494550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32669e+03    1.81221e+04    1.23200e+04    1.09842e+03   -2.77893e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54654e+03    1.04457e+05    2.81755e+05   -1.71879e+04   -2.15652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19575e+04   -1.73491e+06    3.45439e+05   -1.38947e+06    7.23251e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10018e+02   -2.11957e+02    6.55471e+01    3.27244e-06

           Step           Time
      247280000   494560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34351e+03    1.82127e+04    1.25370e+04    1.02411e+03   -2.86979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61094e+03    1.04131e+05    2.81656e+05   -1.71869e+04   -2.15442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20631e+04   -1.73290e+06    3.46456e+05   -1.38644e+06    7.23595e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.11933e+02    6.93494e+01    3.36197e-06

           Step           Time
      247285000   494570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45962e+03    1.80951e+04    1.21692e+04    1.04715e+03   -2.83414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44774e+03    1.04114e+05    2.79303e+05   -1.71776e+04   -2.15503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20994e+04   -1.73631e+06    3.46376e+05   -1.38993e+06    7.23614e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10859e+02   -2.11703e+02   -8.14539e+01    3.33649e-06

           Step           Time
      247290000   494580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62543e+03    1.82325e+04    1.22682e+04    1.08365e+03   -2.88598e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42061e+03    1.04419e+05    2.79668e+05   -1.71992e+04   -2.15149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19821e+04   -1.73188e+06    3.46221e+05   -1.38565e+06    7.23472e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10720e+02   -2.12236e+02   -4.15971e+01    3.28846e-06

           Step           Time
      247295000   494590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35720e+03    1.82228e+04    1.23006e+04    9.81024e+02   -2.79536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53513e+03    1.04486e+05    2.80155e+05   -1.72175e+04   -2.15545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18029e+04   -1.73563e+06    3.46318e+05   -1.38931e+06    7.24318e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10807e+02   -2.12686e+02   -2.02318e+01    3.42899e-06

           Step           Time
      247300000   494600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67381e+03    1.81723e+04    1.22356e+04    1.08158e+03   -2.79524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47873e+03    1.03991e+05    2.80767e+05   -1.72126e+04   -2.15415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20828e+04   -1.73368e+06    3.44537e+05   -1.38914e+06    7.25034e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09209e+02   -2.12566e+02   -1.00988e-01    3.49021e-06

           Step           Time
      247305000   494610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57804e+03    1.77615e+04    1.24056e+04    1.09872e+03   -2.73094e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43685e+03    1.04263e+05    2.80631e+05   -1.72357e+04   -2.15667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19889e+04   -1.73647e+06    3.46357e+05   -1.39011e+06    7.24684e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10842e+02   -2.13136e+02   -4.51469e+01    3.45275e-06

           Step           Time
      247310000   494620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53848e+03    1.82263e+04    1.23183e+04    1.06669e+03   -2.75185e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62787e+03    1.04127e+05    2.80466e+05   -1.72076e+04   -2.15656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19414e+04   -1.73621e+06    3.45742e+05   -1.39047e+06    7.24931e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10290e+02   -2.12442e+02    3.96566e+01    3.39285e-06

           Step           Time
      247315000   494630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57273e+03    1.87786e+04    1.23790e+04    1.10368e+03   -2.77627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48040e+03    1.03725e+05    2.80966e+05   -1.71828e+04   -2.15455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22196e+04   -1.73329e+06    3.46799e+05   -1.38649e+06    7.25794e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11238e+02   -2.11830e+02   -5.24612e+01    3.51438e-06

           Step           Time
      247320000   494640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46819e+03    1.77689e+04    1.25104e+04    1.10728e+03   -2.72843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46125e+03    1.04456e+05    2.82621e+05   -1.72162e+04   -2.16037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19394e+04   -1.73798e+06    3.46157e+05   -1.39182e+06    7.25160e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10663e+02   -2.12655e+02    6.11615e+01    3.27540e-06

           Step           Time
      247325000   494650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92434e+03    1.81112e+04    1.22628e+04    1.06806e+03   -2.82344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53795e+03    1.03966e+05    2.82124e+05   -1.72097e+04   -2.15578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18922e+04   -1.73392e+06    3.45380e+05   -1.38854e+06    7.26129e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09965e+02   -2.12496e+02    7.63727e+01    3.42876e-06

           Step           Time
      247330000   494660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53257e+03    1.85273e+04    1.21539e+04    1.17326e+03   -2.83509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51251e+03    1.04409e+05    2.79608e+05   -1.72185e+04   -2.15308e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18456e+04   -1.73337e+06    3.45554e+05   -1.38782e+06    7.26141e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10121e+02   -2.12712e+02   -1.50422e+00    3.37645e-06

           Step           Time
      247335000   494670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53009e+03    1.82145e+04    1.23743e+04    1.08388e+03   -2.81984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33952e+03    1.04477e+05    2.80124e+05   -1.71390e+04   -2.15765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20074e+04   -1.73745e+06    3.47749e+05   -1.38970e+06    7.26102e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12091e+02   -2.10754e+02   -1.72727e+02    3.45630e-06

           Step           Time
      247340000   494680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84693e+03    1.83890e+04    1.23557e+04    1.09778e+03   -2.72872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37457e+03    1.03789e+05    2.79917e+05   -1.71907e+04   -2.15586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17489e+04   -1.73626e+06    3.47200e+05   -1.38906e+06    7.26600e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11599e+02   -2.12025e+02   -1.61225e+02    3.18438e-06

           Step           Time
      247345000   494690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70835e+03    1.81086e+04    1.22724e+04    1.03428e+03   -2.84486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43582e+03    1.03986e+05    2.81441e+05   -1.72105e+04   -2.15837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20445e+04   -1.73739e+06    3.46745e+05   -1.39065e+06    7.26712e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11190e+02   -2.12515e+02    4.68878e+01    3.25147e-06

           Step           Time
      247350000   494700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57168e+03    1.77731e+04    1.23898e+04    1.03816e+03   -2.86147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48237e+03    1.04429e+05    2.79906e+05   -1.71890e+04   -2.15603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20845e+04   -1.73640e+06    3.44115e+05   -1.39229e+06    7.26949e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08830e+02   -2.11984e+02   -3.18891e+01    3.31919e-06

           Step           Time
      247355000   494710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62991e+03    1.78509e+04    1.22800e+04    1.09871e+03   -2.79044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56843e+03    1.04233e+05    2.80190e+05   -1.71873e+04   -2.15523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18785e+04   -1.73548e+06    3.47146e+05   -1.38833e+06    7.26926e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11550e+02   -2.11942e+02    2.99075e+01    3.25717e-06

           Step           Time
      247360000   494720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46943e+03    1.78942e+04    1.23532e+04    1.13015e+03   -2.79953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50543e+03    1.04481e+05    2.80975e+05   -1.72107e+04   -2.15632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20357e+04   -1.73548e+06    3.45214e+05   -1.39027e+06    7.27164e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09817e+02   -2.12520e+02    8.06774e+01    3.28530e-06

           Step           Time
      247365000   494730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39513e+03    1.81771e+04    1.24379e+04    1.01062e+03   -2.82344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49751e+03    1.04333e+05    2.79875e+05   -1.72004e+04   -2.15562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20546e+04   -1.73586e+06    3.46590e+05   -1.38927e+06    7.27674e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11051e+02   -2.12265e+02   -4.52244e+01    3.20715e-06

           Step           Time
      247370000   494740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51752e+03    1.79058e+04    1.25098e+04    1.02419e+03   -2.89063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58789e+03    1.04394e+05    2.80821e+05   -1.71824e+04   -2.15636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18083e+04   -1.73586e+06    3.46638e+05   -1.38923e+06    7.27691e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11094e+02   -2.11822e+02   -1.04903e+01    3.34034e-06

           Step           Time
      247375000   494750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67529e+03    1.81941e+04    1.24081e+04    1.03686e+03   -2.88239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48594e+03    1.03888e+05    2.81032e+05   -1.71418e+04   -2.15600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20680e+04   -1.73524e+06    3.45259e+05   -1.38998e+06    7.28190e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09857e+02   -2.10822e+02   -1.17052e+01    3.28834e-06

           Step           Time
      247380000   494760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48420e+03    1.82281e+04    1.24143e+04    1.06428e+03   -2.72365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53752e+03    1.03865e+05    2.78762e+05   -1.71702e+04   -2.15290e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21131e+04   -1.73433e+06    3.45271e+05   -1.38906e+06    7.28300e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09867e+02   -2.11521e+02   -6.47117e+01    3.29775e-06

           Step           Time
      247385000   494770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59138e+03    1.80004e+04    1.24859e+04    1.06200e+03   -2.75968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38256e+03    1.04297e+05    2.78585e+05   -1.70895e+04   -2.14962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23201e+04   -1.73074e+06    3.45312e+05   -1.38543e+06    7.28200e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09904e+02   -2.09541e+02   -9.36513e+01    3.55917e-06

           Step           Time
      247390000   494780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39936e+03    1.79775e+04    1.21534e+04    1.04233e+03   -2.75255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43373e+03    1.04608e+05    2.79830e+05   -1.71942e+04   -2.15517e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18926e+04   -1.73577e+06    3.44254e+05   -1.39152e+06    7.28804e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08955e+02   -2.12113e+02   -4.66574e+01    3.31469e-06

Writing checkpoint, step 247393900 at Sat Dec  2 03:53:07 2023


           Step           Time
      247395000   494790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46837e+03    1.82670e+04    1.24718e+04    1.07877e+03   -2.80654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40198e+03    1.04266e+05    2.80752e+05   -1.71794e+04   -2.15512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20685e+04   -1.73433e+06    3.46618e+05   -1.38771e+06    7.28998e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11076e+02   -2.11748e+02    1.25092e+01    3.33337e-06

           Step           Time
      247400000   494800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40310e+03    1.80294e+04    1.24704e+04    1.05475e+03   -2.81990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66101e+03    1.04596e+05    2.84362e+05   -1.72219e+04   -2.16161e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18165e+04   -1.73726e+06    3.46082e+05   -1.39117e+06    7.29465e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10595e+02   -2.12795e+02    2.13282e+02    3.33911e-06

           Step           Time
      247405000   494810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50378e+03    1.86646e+04    1.24558e+04    1.02986e+03   -2.84826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43479e+03    1.04210e+05    2.80975e+05   -1.71405e+04   -2.15628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20613e+04   -1.73493e+06    3.48227e+05   -1.38671e+06    7.29625e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12521e+02   -2.10792e+02   -2.01446e+01    3.32547e-06

           Step           Time
      247410000   494820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60848e+03    1.81751e+04    1.23695e+04    1.00286e+03   -2.79040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56227e+03    1.04186e+05    2.80989e+05   -1.71373e+04   -2.15475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21304e+04   -1.73365e+06    3.45407e+05   -1.38824e+06    7.29938e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09989e+02   -2.10713e+02    3.88986e+00    3.20395e-06

           Step           Time
      247415000   494830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53200e+03    1.80592e+04    1.24026e+04    1.11050e+03   -2.84395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44132e+03    1.03957e+05    2.81904e+05   -1.71959e+04   -2.15636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20244e+04   -1.73496e+06    3.45862e+05   -1.38910e+06    7.30021e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10398e+02   -2.12154e+02    3.60950e+01    3.20191e-06

           Step           Time
      247420000   494840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51092e+03    1.82297e+04    1.23303e+04    1.13423e+03   -2.78619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51447e+03    1.04121e+05    2.80168e+05   -1.72070e+04   -2.15339e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20699e+04   -1.73330e+06    3.45609e+05   -1.38770e+06    7.29944e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10171e+02   -2.12427e+02    1.23336e+01    3.40155e-06

           Step           Time
      247425000   494850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45891e+03    1.85613e+04    1.23152e+04    1.07835e+03   -2.85170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50269e+03    1.04119e+05    2.79971e+05   -1.72234e+04   -2.15576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19537e+04   -1.73587e+06    3.45438e+05   -1.39043e+06    7.30952e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10017e+02   -2.12832e+02   -5.62674e+01    3.14461e-06

           Step           Time
      247430000   494860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28195e+03    1.84276e+04    1.24521e+04    1.08568e+03   -2.93003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59031e+03    1.04231e+05    2.81508e+05   -1.71980e+04   -2.15639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19422e+04   -1.73500e+06    3.46626e+05   -1.38837e+06    7.30751e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11083e+02   -2.12206e+02    9.31468e+01    3.18298e-06

           Step           Time
      247435000   494870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56338e+03    1.84872e+04    1.23531e+04    1.18834e+03   -2.79036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43977e+03    1.03837e+05    2.80171e+05   -1.71821e+04   -2.15439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17989e+04   -1.73452e+06    3.48677e+05   -1.38584e+06    7.30866e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12924e+02   -2.11814e+02   -5.51308e+01    3.24739e-06

           Step           Time
      247440000   494880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75868e+03    1.82011e+04    1.22759e+04    1.07768e+03   -2.85724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35169e+03    1.03978e+05    2.79532e+05   -1.72076e+04   -2.15514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22235e+04   -1.73581e+06    3.48231e+05   -1.38758e+06    7.31151e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12524e+02   -2.12443e+02   -4.74287e+01    3.24751e-06

           Step           Time
      247445000   494890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39179e+03    1.82244e+04    1.23936e+04    1.06719e+03   -2.86739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70898e+03    1.03588e+05    2.79895e+05   -1.72220e+04   -2.15214e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20133e+04   -1.73294e+06    3.46118e+05   -1.38682e+06    7.31730e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10627e+02   -2.12798e+02    6.23691e+01    3.32593e-06

           Step           Time
      247450000   494900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39810e+03    1.85524e+04    1.22517e+04    1.07867e+03   -2.82429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50155e+03    1.04469e+05    2.80308e+05   -1.72223e+04   -2.15498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19646e+04   -1.73451e+06    3.45173e+05   -1.38933e+06    7.32238e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09780e+02   -2.12805e+02   -7.50463e+00    3.33108e-06

           Step           Time
      247455000   494910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54214e+03    1.83662e+04    1.24929e+04    1.10157e+03   -2.77592e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39591e+03    1.04011e+05    2.77328e+05   -1.71621e+04   -2.14971e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20532e+04   -1.73236e+06    3.47009e+05   -1.38535e+06    7.32275e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11427e+02   -2.11322e+02   -1.67220e+02    3.41009e-06

           Step           Time
      247460000   494920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52040e+03    1.83689e+04    1.24169e+04    1.11542e+03   -2.90732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49411e+03    1.03786e+05    2.80892e+05   -1.71642e+04   -2.15328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20494e+04   -1.73271e+06    3.44955e+05   -1.38776e+06    7.33309e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09583e+02   -2.11375e+02    2.93728e+01    3.34441e-06

           Step           Time
      247465000   494930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47368e+03    1.83899e+04    1.22459e+04    1.10909e+03   -2.86034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50562e+03    1.03626e+05    2.79106e+05   -1.71945e+04   -2.15566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19794e+04   -1.73728e+06    3.46284e+05   -1.39100e+06    7.33418e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10777e+02   -2.12119e+02   -8.58405e+01    3.22396e-06

           Step           Time
      247470000   494940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51433e+03    1.82866e+04    1.23419e+04    1.06545e+03   -2.74811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58368e+03    1.03748e+05    2.82476e+05   -1.72319e+04   -2.15992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20329e+04   -1.73785e+06    3.45845e+05   -1.39201e+06    7.33545e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10383e+02   -2.13043e+02    8.23578e+01    3.14199e-06

           Step           Time
      247475000   494950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53791e+03    1.81924e+04    1.22154e+04    1.10762e+03   -2.81456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58757e+03    1.03783e+05    2.81016e+05   -1.72097e+04   -2.15667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21682e+04   -1.73608e+06    3.46727e+05   -1.38936e+06    7.33549e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11174e+02   -2.12495e+02    8.95983e+00    3.41157e-06

           Step           Time
      247480000   494960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49190e+03    1.82802e+04    1.25390e+04    1.12305e+03   -2.86054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62707e+03    1.03677e+05    2.82496e+05   -1.71617e+04   -2.15720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20773e+04   -1.73491e+06    3.45593e+05   -1.38932e+06    7.33699e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10156e+02   -2.11313e+02    3.64757e+01    3.11624e-06

           Step           Time
      247485000   494970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53777e+03    1.81393e+04    1.23382e+04    1.02120e+03   -2.96706e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45088e+03    1.03484e+05    2.83399e+05   -1.71703e+04   -2.15978e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21333e+04   -1.73741e+06    3.44282e+05   -1.39313e+06    7.34168e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08980e+02   -2.11524e+02    1.75863e+01    3.26372e-06

           Step           Time
      247490000   494980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52867e+03    1.85615e+04    1.22540e+04    1.08669e+03   -2.95986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46018e+03    1.04001e+05    2.80025e+05   -1.71905e+04   -2.15321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20552e+04   -1.73339e+06    3.46345e+05   -1.38705e+06    7.34691e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10831e+02   -2.12022e+02   -3.71034e-01    3.27868e-06

           Step           Time
      247495000   494990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43515e+03    1.81992e+04    1.23811e+04    9.86724e+02   -2.97240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50926e+03    1.04194e+05    2.82025e+05   -1.72021e+04   -2.15742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20045e+04   -1.73586e+06    3.46227e+05   -1.38963e+06    7.34486e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10725e+02   -2.12308e+02    5.50413e+01    3.36471e-06

           Step           Time
      247500000   495000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57190e+03    1.81959e+04    1.23425e+04    1.05711e+03   -2.75918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45792e+03    1.03837e+05    2.80882e+05   -1.71662e+04   -2.15338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19808e+04   -1.73297e+06    3.48282e+05   -1.38469e+06    7.34604e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12569e+02   -2.11423e+02    4.52502e+01    3.17867e-06

           Step           Time
      247505000   495010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45667e+03    1.82756e+04    1.23637e+04    1.05911e+03   -2.89759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56022e+03    1.04753e+05    2.78898e+05   -1.71920e+04   -2.15343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20325e+04   -1.73412e+06    3.46850e+05   -1.38727e+06    7.34999e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11284e+02   -2.12057e+02   -2.80295e+01    3.31193e-06

           Step           Time
      247510000   495020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52777e+03    1.79516e+04    1.24386e+04    1.05239e+03   -2.69258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52048e+03    1.04223e+05    2.79119e+05   -1.72103e+04   -2.15098e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19418e+04   -1.73211e+06    3.47805e+05   -1.38431e+06    7.35316e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12142e+02   -2.12510e+02   -3.77204e+01    3.34352e-06

           Step           Time
      247515000   495030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33682e+03    1.80460e+04    1.22461e+04    1.06172e+03   -2.83386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58215e+03    1.04312e+05    2.80846e+05   -1.71982e+04   -2.15845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17646e+04   -1.73828e+06    3.46216e+05   -1.39207e+06    7.35342e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10715e+02   -2.12212e+02   -2.04594e+01    3.33340e-06

           Step           Time
      247520000   495040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61052e+03    1.83677e+04    1.23380e+04    1.12393e+03   -2.89337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49938e+03    1.03946e+05    2.80639e+05   -1.71870e+04   -2.15374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21814e+04   -1.73311e+06    3.47794e+05   -1.38532e+06    7.36251e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12131e+02   -2.11934e+02   -3.50238e-01    3.25314e-06

           Step           Time
      247525000   495050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37835e+03    1.87988e+04    1.23956e+04    1.06195e+03   -2.75717e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42916e+03    1.04450e+05    2.82130e+05   -1.72089e+04   -2.15625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21763e+04   -1.73339e+06    3.47470e+05   -1.38592e+06    7.36504e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11840e+02   -2.12475e+02    1.03944e+02    3.22708e-06

           Step           Time
      247530000   495060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42275e+03    1.81227e+04    1.24077e+04    1.03672e+03   -2.89411e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53571e+03    1.04130e+05    2.80107e+05   -1.72325e+04   -2.15671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21730e+04   -1.73690e+06    3.46444e+05   -1.39045e+06    7.36494e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10920e+02   -2.13057e+02   -1.25119e+01    3.35148e-06

           Step           Time
      247535000   495070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42255e+03    1.83886e+04    1.23291e+04    1.06424e+03   -2.92289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52546e+03    1.04331e+05    2.81601e+05   -1.72330e+04   -2.15852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20325e+04   -1.73698e+06    3.46498e+05   -1.39049e+06    7.37080e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10968e+02   -2.13070e+02    3.73338e+01    3.28766e-06

           Step           Time
      247540000   495080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64488e+03    1.82217e+04    1.22325e+04    1.10300e+03   -2.74997e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57111e+03    1.04427e+05    2.80378e+05   -1.71793e+04   -2.15466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21860e+04   -1.73383e+06    3.46508e+05   -1.38732e+06    7.37188e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10978e+02   -2.11746e+02    2.45301e+01    3.32823e-06

           Step           Time
      247545000   495090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88912e+03    1.80398e+04    1.23683e+04    1.09341e+03   -2.83466e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54023e+03    1.04050e+05    2.79667e+05   -1.72155e+04   -2.15427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19834e+04   -1.73469e+06    3.47479e+05   -1.38722e+06    7.36991e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11849e+02   -2.12639e+02   -3.49256e+01    3.31396e-06

           Step           Time
      247550000   495100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57543e+03    1.82091e+04    1.22970e+04    1.01596e+03   -2.96284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55075e+03    1.04443e+05    2.79998e+05   -1.72055e+04   -2.15475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19395e+04   -1.73489e+06    3.45574e+05   -1.38932e+06    7.37885e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10139e+02   -2.12392e+02    5.19856e+00    3.23342e-06

           Step           Time
      247555000   495110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65535e+03    1.82746e+04    1.20796e+04    1.04017e+03   -2.73105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59105e+03    1.04227e+05    2.79250e+05   -1.71795e+04   -2.15318e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19832e+04   -1.73399e+06    3.45948e+05   -1.38804e+06    7.37755e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10475e+02   -2.11750e+02   -6.01096e+01    3.15723e-06

           Step           Time
      247560000   495120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65588e+03    1.82157e+04    1.21624e+04    1.04029e+03   -2.86050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64284e+03    1.04414e+05    2.81005e+05   -1.71784e+04   -2.15540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20322e+04   -1.73427e+06    3.46024e+05   -1.38825e+06    7.38272e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10543e+02   -2.11722e+02    4.73211e+01    3.27065e-06

           Step           Time
      247565000   495130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60612e+03    1.81304e+04    1.22899e+04    1.12936e+03   -2.81271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53292e+03    1.04359e+05    2.80605e+05   -1.71749e+04   -2.15416e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19776e+04   -1.73352e+06    3.46679e+05   -1.38684e+06    7.38251e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11131e+02   -2.11638e+02    2.03773e+01    3.19546e-06

           Step           Time
      247570000   495140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60374e+03    1.84772e+04    1.25006e+04    1.12628e+03   -2.92143e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49513e+03    1.04471e+05    2.79168e+05   -1.71675e+04   -2.15312e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17762e+04   -1.73359e+06    3.47712e+05   -1.38587e+06    7.38274e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12058e+02   -2.11455e+02   -3.55529e+01    3.30380e-06

           Step           Time
      247575000   495150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63230e+03    1.85748e+04    1.22351e+04    1.11865e+03   -2.86500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44243e+03    1.04019e+05    2.80110e+05   -1.72084e+04   -2.15550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18520e+04   -1.73558e+06    3.45269e+05   -1.39032e+06    7.38766e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09865e+02   -2.12464e+02   -5.73981e+01    3.31781e-06

           Step           Time
      247580000   495160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65413e+03    1.79983e+04    1.21976e+04    1.14875e+03   -2.83887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60369e+03    1.04073e+05    2.81197e+05   -1.72037e+04   -2.15747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19363e+04   -1.73671e+06    3.46291e+05   -1.39041e+06    7.38778e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10783e+02   -2.12346e+02    4.73813e+01    3.32361e-06

           Step           Time
      247585000   495170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87103e+03    1.81722e+04    1.22572e+04    1.08899e+03   -2.90005e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44757e+03    1.03960e+05    2.81169e+05   -1.71920e+04   -2.15631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19878e+04   -1.73545e+06    3.47016e+05   -1.38843e+06    7.38989e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11434e+02   -2.12058e+02   -1.86742e+01    3.25325e-06

           Step           Time
      247590000   495180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47156e+03    1.80647e+04    1.22500e+04    1.10227e+03   -2.85516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46305e+03    1.04440e+05    2.78373e+05   -1.72060e+04   -2.15305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20887e+04   -1.73485e+06    3.45914e+05   -1.38894e+06    7.39175e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10445e+02   -2.12402e+02   -1.31048e+02    3.29862e-06

           Step           Time
      247595000   495190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43334e+03    1.85156e+04    1.23102e+04    9.81672e+02   -2.84387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43048e+03    1.04709e+05    2.79422e+05   -1.71759e+04   -2.15362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20984e+04   -1.73374e+06    3.46419e+05   -1.38732e+06    7.39224e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10898e+02   -2.11661e+02   -3.21890e+01    3.21988e-06

           Step           Time
      247600000   495200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40995e+03    1.82857e+04    1.23000e+04    1.09287e+03   -2.84761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64338e+03    1.05067e+05    2.76740e+05   -1.71446e+04   -2.15154e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21555e+04   -1.73384e+06    3.46406e+05   -1.38743e+06    7.39424e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10886e+02   -2.10891e+02   -1.39642e+02    3.36755e-06

           Step           Time
      247605000   495210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49273e+03    1.81312e+04    1.22294e+04    1.07344e+03   -2.78221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50206e+03    1.04128e+05    2.80753e+05   -1.71632e+04   -2.15657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21488e+04   -1.73606e+06    3.45649e+05   -1.39041e+06    7.39798e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10206e+02   -2.11349e+02   -8.84763e+01    3.24809e-06

           Step           Time
      247610000   495220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49735e+03    1.80224e+04    1.22614e+04    1.13192e+03   -2.84321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48771e+03    1.04306e+05    2.80487e+05   -1.71695e+04   -2.15626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19825e+04   -1.73609e+06    3.46631e+05   -1.38946e+06    7.39820e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11088e+02   -2.11505e+02   -4.97010e+01    3.33130e-06

           Step           Time
      247615000   495230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74409e+03    1.81468e+04    1.22704e+04    1.09550e+03   -2.97601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47236e+03    1.04390e+05    2.80667e+05   -1.71631e+04   -2.15463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19727e+04   -1.73401e+06    3.45404e+05   -1.38861e+06    7.40908e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09986e+02   -2.11346e+02   -3.32709e+01    3.19138e-06

           Step           Time
      247620000   495240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67662e+03    1.81315e+04    1.25633e+04    1.10889e+03   -2.84221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45241e+03    1.03789e+05    2.83358e+05   -1.72324e+04   -2.15911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18795e+04   -1.73623e+06    3.47548e+05   -1.38868e+06    7.40989e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11911e+02   -2.13054e+02    6.75591e+01    3.36404e-06

           Step           Time
      247625000   495250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56948e+03    1.84546e+04    1.24329e+04    1.10847e+03   -2.81766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44423e+03    1.03588e+05    2.82940e+05   -1.71972e+04   -2.15928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18483e+04   -1.73691e+06    3.45662e+05   -1.39125e+06    7.40982e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10218e+02   -2.12187e+02   -1.34434e+01    3.21302e-06

           Step           Time
      247630000   495260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38495e+03    1.83512e+04    1.22644e+04    1.06388e+03   -2.77869e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65765e+03    1.04368e+05    2.79541e+05   -1.71767e+04   -2.15363e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19687e+04   -1.73399e+06    3.46933e+05   -1.38705e+06    7.41871e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11359e+02   -2.11681e+02    5.09086e+01    3.21909e-06

           Step           Time
      247635000   495270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41080e+03    1.81717e+04    1.22619e+04    9.69821e+02   -2.88852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55615e+03    1.04728e+05    2.81680e+05   -1.72127e+04   -2.15824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20130e+04   -1.73655e+06    3.47198e+05   -1.38935e+06    7.41681e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11597e+02   -2.12568e+02    8.01029e+01    3.38340e-06

           Step           Time
      247640000   495280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47753e+03    1.87291e+04    1.23262e+04    1.12437e+03   -2.81060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49604e+03    1.04217e+05    2.82187e+05   -1.72306e+04   -2.15780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18830e+04   -1.73540e+06    3.46898e+05   -1.38850e+06    7.42609e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11328e+02   -2.13009e+02    5.89920e+01    3.19860e-06

           Step           Time
      247645000   495290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40395e+03    1.81915e+04    1.23738e+04    1.09953e+03   -2.88054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50011e+03    1.04922e+05    2.81294e+05   -1.71788e+04   -2.15834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19449e+04   -1.73667e+06    3.45690e+05   -1.39098e+06    7.42831e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10243e+02   -2.11733e+02    3.46690e+01    3.14445e-06

           Step           Time
      247650000   495300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64236e+03    1.83422e+04    1.23427e+04    1.08565e+03   -2.93185e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60096e+03    1.04717e+05    2.80530e+05   -1.72330e+04   -2.15688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20647e+04   -1.73572e+06    3.45602e+05   -1.39012e+06    7.43260e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10164e+02   -2.13069e+02    3.98034e+01    3.16209e-06

           Step           Time
      247655000   495310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55357e+03    1.82417e+04    1.22981e+04    1.08593e+03   -2.85529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49096e+03    1.04303e+05    2.79618e+05   -1.72059e+04   -2.15443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18868e+04   -1.73501e+06    3.46148e+05   -1.38886e+06    7.43198e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10655e+02   -2.12402e+02   -6.02163e+01    3.10407e-06

           Step           Time
      247660000   495320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33232e+03    1.78522e+04    1.22948e+04    1.09592e+03   -2.84521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58408e+03    1.04300e+05    2.79565e+05   -1.72242e+04   -2.15584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19600e+04   -1.73693e+06    3.47643e+05   -1.38928e+06    7.42974e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11996e+02   -2.12851e+02    2.60119e+01    3.31769e-06

           Step           Time
      247665000   495330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66875e+03    1.80723e+04    1.22988e+04    1.15608e+03   -2.75219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70745e+03    1.04524e+05    2.77795e+05   -1.71761e+04   -2.15239e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19514e+04   -1.73414e+06    3.47848e+05   -1.38630e+06    7.43632e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12180e+02   -2.11668e+02   -5.63369e+01    3.44896e-06

           Step           Time
      247670000   495340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39271e+03    1.83510e+04    1.21244e+04    1.13092e+03   -2.66329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57374e+03    1.04437e+05    2.77902e+05   -1.71442e+04   -2.14998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21413e+04   -1.73173e+06    3.46839e+05   -1.38490e+06    7.44050e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11274e+02   -2.10883e+02   -1.10323e+02    3.25516e-06

           Step           Time
      247675000   495350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65922e+03    1.79033e+04    1.21185e+04    1.05793e+03   -2.74261e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48192e+03    1.04464e+05    2.82258e+05   -1.72092e+04   -2.15770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20043e+04   -1.73570e+06    3.46933e+05   -1.38877e+06    7.43971e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11358e+02   -2.12482e+02    1.26594e+02    3.32642e-06

           Step           Time
      247680000   495360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42411e+03    1.80393e+04    1.23884e+04    1.06609e+03   -2.88507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57669e+03    1.04556e+05    2.78547e+05   -1.71834e+04   -2.15385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20309e+04   -1.73529e+06    3.48384e+05   -1.38690e+06    7.44261e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12661e+02   -2.11847e+02   -4.87501e+01    3.12900e-06

           Step           Time
      247685000   495370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64025e+03    1.82341e+04    1.22337e+04    1.10741e+03   -2.83887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48447e+03    1.04428e+05    2.80866e+05   -1.72400e+04   -2.15565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18885e+04   -1.73485e+06    3.45167e+05   -1.38968e+06    7.45036e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09774e+02   -2.13242e+02    6.48727e+01    3.21659e-06

           Step           Time
      247690000   495380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35892e+03    1.79119e+04    1.23710e+04    1.04874e+03   -2.86187e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67775e+03    1.05186e+05    2.79388e+05   -1.71641e+04   -2.15404e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20765e+04   -1.73405e+06    3.46632e+05   -1.38742e+06    7.44799e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11088e+02   -2.11371e+02    7.23517e+00    3.27544e-06

           Step           Time
      247695000   495390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89901e+03    1.85106e+04    1.23196e+04    1.00472e+03   -2.80662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54035e+03    1.03969e+05    2.81793e+05   -1.72218e+04   -2.15662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19927e+04   -1.73462e+06    3.45657e+05   -1.38896e+06    7.45776e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10214e+02   -2.12793e+02    6.47931e+01    3.12371e-06

           Step           Time
      247700000   495400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44808e+03    1.82218e+04    1.22665e+04    1.08537e+03   -2.83266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36810e+03    1.04741e+05    2.81710e+05   -1.72142e+04   -2.15785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19318e+04   -1.73612e+06    3.44842e+05   -1.39128e+06    7.45521e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09482e+02   -2.12605e+02    8.16257e+01    3.17086e-06

           Step           Time
      247705000   495410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53538e+03    1.80353e+04    1.23938e+04    1.04142e+03   -2.75381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52192e+03    1.04709e+05    2.82349e+05   -1.71582e+04   -2.15704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20813e+04   -1.73428e+06    3.46834e+05   -1.38745e+06    7.45459e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11270e+02   -2.11226e+02    5.34128e+01    3.25264e-06

           Step           Time
      247710000   495420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76322e+03    1.81954e+04    1.21737e+04    1.08696e+03   -2.83593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62695e+03    1.04294e+05    2.80411e+05   -1.71960e+04   -2.15464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19512e+04   -1.73417e+06    3.46127e+05   -1.38804e+06    7.45961e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10636e+02   -2.12157e+02   -1.57222e+01    3.30900e-06

           Step           Time
      247715000   495430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73716e+03    1.86757e+04    1.23885e+04    1.11954e+03   -2.87921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48856e+03    1.04026e+05    2.80681e+05   -1.72007e+04   -2.15627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20395e+04   -1.73520e+06    3.47502e+05   -1.38770e+06    7.45769e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11869e+02   -2.12272e+02    3.91969e+00    3.36312e-06

           Step           Time
      247720000   495440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.12397e+03    1.82395e+04    1.23206e+04    1.04881e+03   -2.77510e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50477e+03    1.04415e+05    2.83067e+05   -1.71938e+04   -2.16055e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19686e+04   -1.73783e+06    3.46924e+05   -1.39090e+06    7.45795e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11351e+02   -2.12103e+02    7.76672e+01    3.38567e-06

           Step           Time
      247725000   495450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33517e+03    1.78297e+04    1.22811e+04    1.08224e+03   -2.80322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43658e+03    1.04856e+05    2.80470e+05   -1.72267e+04   -2.15709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21194e+04   -1.73671e+06    3.45818e+05   -1.39089e+06    7.46216e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10358e+02   -2.12914e+02    8.04778e+00    3.32394e-06

           Step           Time
      247730000   495460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49880e+03    1.83279e+04    1.22797e+04    1.12715e+03   -2.89259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41985e+03    1.04429e+05    2.80392e+05   -1.71920e+04   -2.15443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19860e+04   -1.73406e+06    3.47668e+05   -1.38639e+06    7.46596e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12019e+02   -2.12058e+02    1.50098e+01    3.36767e-06

           Step           Time
      247735000   495470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66679e+03    1.82093e+04    1.24959e+04    1.07916e+03   -2.86305e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52452e+03    1.04037e+05    2.81051e+05   -1.71873e+04   -2.15438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21248e+04   -1.73324e+06    3.48214e+05   -1.38502e+06    7.46852e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12508e+02   -2.11941e+02    1.82292e+01    3.26023e-06

           Step           Time
      247740000   495480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46899e+03    1.82519e+04    1.22989e+04    1.10669e+03   -2.84042e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51190e+03    1.04264e+05    2.80925e+05   -1.72010e+04   -2.15713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19425e+04   -1.73640e+06    3.47353e+05   -1.38904e+06    7.46716e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11736e+02   -2.12280e+02    2.86375e+01    3.25429e-06

           Step           Time
      247745000   495490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56912e+03    1.82291e+04    1.25344e+04    1.06311e+03   -2.85224e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49446e+03    1.04299e+05    2.83825e+05   -1.72293e+04   -2.16232e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20226e+04   -1.73837e+06    3.47387e+05   -1.39098e+06    7.46900e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11766e+02   -2.12978e+02    9.99728e+01    3.28225e-06

           Step           Time
      247750000   495500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55926e+03    1.83857e+04    1.24520e+04    1.08294e+03   -2.87530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50652e+03    1.04268e+05    2.81267e+05   -1.72179e+04   -2.15640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19623e+04   -1.73500e+06    3.44903e+05   -1.39010e+06    7.47118e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09537e+02   -2.12696e+02    7.01524e+01    3.23652e-06

           Step           Time
      247755000   495510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26513e+03    1.84049e+04    1.22399e+04    1.12728e+03   -2.85268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48389e+03    1.04193e+05    2.82071e+05   -1.71876e+04   -2.15857e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20833e+04   -1.73674e+06    3.45746e+05   -1.39099e+06    7.47808e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10293e+02   -2.11950e+02    9.10111e+01    3.15153e-06

           Step           Time
      247760000   495520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87195e+03    1.85037e+04    1.22766e+04    1.03862e+03   -2.83646e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51350e+03    1.04695e+05    2.81669e+05   -1.71481e+04   -2.15425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20527e+04   -1.73161e+06    3.48530e+05   -1.38308e+06    7.48190e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12792e+02   -2.10978e+02    5.61210e+01    3.21105e-06

           Step           Time
      247765000   495530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40701e+03    1.83959e+04    1.22392e+04    1.15581e+03   -2.76476e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60923e+03    1.04249e+05    2.81721e+05   -1.72173e+04   -2.15645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18088e+04   -1.73484e+06    3.46718e+05   -1.38812e+06    7.48196e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11166e+02   -2.12681e+02    1.61778e+02    3.11016e-06

           Step           Time
      247770000   495540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49310e+03    1.83508e+04    1.23581e+04    1.14020e+03   -2.89601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56698e+03    1.04452e+05    2.80058e+05   -1.71721e+04   -2.15669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19629e+04   -1.73637e+06    3.46029e+05   -1.39034e+06    7.48921e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10547e+02   -2.11567e+02   -6.74009e+01    3.26734e-06

           Step           Time
      247775000   495550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51612e+03    1.78562e+04    1.24671e+04    1.09724e+03   -2.82310e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46380e+03    1.04502e+05    2.78820e+05   -1.71499e+04   -2.15494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19261e+04   -1.73627e+06    3.45998e+05   -1.39027e+06    7.48552e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10520e+02   -2.11021e+02   -1.67218e+02    3.09490e-06

           Step           Time
      247780000   495560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51284e+03    1.83414e+04    1.23445e+04    1.07307e+03   -2.87655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58168e+03    1.04346e+05    2.81080e+05   -1.71998e+04   -2.15477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20627e+04   -1.73350e+06    3.46965e+05   -1.38654e+06    7.48731e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11387e+02   -2.12249e+02    6.40378e+01    3.25617e-06

           Step           Time
      247785000   495570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36064e+03    1.83070e+04    1.24211e+04    1.04965e+03   -2.89633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46547e+03    1.04623e+05    2.80496e+05   -1.72019e+04   -2.15532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21613e+04   -1.73453e+06    3.46382e+05   -1.38815e+06    7.48794e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10864e+02   -2.12301e+02   -8.38762e+00    3.27926e-06

           Step           Time
      247790000   495580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59139e+03    1.79837e+04    1.23212e+04    1.00915e+03   -2.84333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51173e+03    1.04898e+05    2.81782e+05   -1.71843e+04   -2.15751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19700e+04   -1.73547e+06    3.46511e+05   -1.38896e+06    7.49514e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10980e+02   -2.11870e+02   -2.02161e+01    3.28979e-06

           Step           Time
      247795000   495590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58154e+03    1.81484e+04    1.22824e+04    1.09845e+03   -2.87803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40324e+03    1.04586e+05    2.82007e+05   -1.71660e+04   -2.15698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18427e+04   -1.73507e+06    3.46066e+05   -1.38901e+06    7.49682e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10581e+02   -2.11418e+02   -1.11330e+01    3.25039e-06

           Step           Time
      247800000   495600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51912e+03    1.83342e+04    1.24188e+04    1.14979e+03   -2.86479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47879e+03    1.04434e+05    2.78909e+05   -1.71728e+04   -2.15254e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19436e+04   -1.73339e+06    3.46537e+05   -1.38686e+06    7.49700e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11004e+02   -2.11586e+02   -3.36735e+01    3.32195e-06

           Step           Time
      247805000   495610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45286e+03    1.83739e+04    1.24647e+04    1.08719e+03   -2.86267e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44901e+03    1.03917e+05    2.78596e+05   -1.71416e+04   -2.15139e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20975e+04   -1.73296e+06    3.46868e+05   -1.38609e+06    7.50210e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11300e+02   -2.10817e+02   -1.30309e+02    3.30218e-06

           Step           Time
      247810000   495620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50398e+03    1.80555e+04    1.22711e+04    1.08272e+03   -2.85969e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47721e+03    1.04634e+05    2.80212e+05   -1.72106e+04   -2.15477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20218e+04   -1.73458e+06    3.46609e+05   -1.38797e+06    7.50739e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11068e+02   -2.12516e+02    2.06634e+01    3.29523e-06

           Step           Time
      247815000   495630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32763e+03    1.83326e+04    1.25116e+04    1.07317e+03   -2.87143e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61152e+03    1.04422e+05    2.83626e+05   -1.71572e+04   -2.15868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18324e+04   -1.73498e+06    3.45088e+05   -1.38989e+06    7.51370e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09703e+02   -2.11201e+02    1.32732e+02    3.32945e-06

           Step           Time
      247820000   495640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55354e+03    1.81582e+04    1.24221e+04    1.01006e+03   -2.88382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54159e+03    1.03648e+05    2.79655e+05   -1.71633e+04   -2.15333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18288e+04   -1.73456e+06    3.46511e+05   -1.38805e+06    7.51378e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10980e+02   -2.11351e+02   -4.25846e+01    3.41671e-06

           Step           Time
      247825000   495650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57813e+03    1.80110e+04    1.22859e+04    1.02634e+03   -2.80419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43836e+03    1.04576e+05    2.79998e+05   -1.71780e+04   -2.15759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18211e+04   -1.73783e+06    3.46243e+05   -1.39159e+06    7.52042e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10740e+02   -2.11713e+02   -7.06692e+01    3.29427e-06

           Step           Time
      247830000   495660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42840e+03    1.79269e+04    1.22887e+04    1.03667e+03   -2.82050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56154e+03    1.04395e+05    2.81286e+05   -1.71713e+04   -2.15698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20283e+04   -1.73602e+06    3.45690e+05   -1.39033e+06    7.51920e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10243e+02   -2.11547e+02    1.17290e+01    3.23020e-06

           Step           Time
      247835000   495670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49046e+03    1.81384e+04    1.23495e+04    1.10017e+03   -2.85057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53656e+03    1.04323e+05    2.80730e+05   -1.72211e+04   -2.15574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20306e+04   -1.73511e+06    3.45097e+05   -1.39001e+06    7.52571e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09712e+02   -2.12777e+02    7.38346e+01    3.14392e-06

           Step           Time
      247840000   495680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56034e+03    1.82898e+04    1.23230e+04    1.10139e+03   -2.79948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40932e+03    1.04185e+05    2.81095e+05   -1.72084e+04   -2.15441e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19509e+04   -1.73350e+06    3.45058e+05   -1.38844e+06    7.53120e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09676e+02   -2.12462e+02   -3.02429e+01    3.08133e-06

           Step           Time
      247845000   495690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66145e+03    1.81408e+04    1.24128e+04    1.02678e+03   -2.87622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46614e+03    1.04582e+05    2.81129e+05   -1.71933e+04   -2.15599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20453e+04   -1.73459e+06    3.45813e+05   -1.38878e+06    7.53262e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10353e+02   -2.12090e+02   -2.52606e+01    3.18057e-06

           Step           Time
      247850000   495700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40685e+03    1.80804e+04    1.23945e+04    1.07747e+03   -2.78441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51539e+03    1.04318e+05    2.82559e+05   -1.71722e+04   -2.15816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19491e+04   -1.73582e+06    3.45638e+05   -1.39018e+06    7.53089e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10197e+02   -2.11570e+02    5.64888e+01    3.35493e-06

           Step           Time
      247855000   495710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73712e+03    1.87159e+04    1.23684e+04    1.04121e+03   -2.74415e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37348e+03    1.03596e+05    2.80992e+05   -1.71740e+04   -2.15449e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20851e+04   -1.73350e+06    3.44429e+05   -1.38907e+06    7.54058e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09112e+02   -2.11615e+02   -6.44381e+01    3.24353e-06

           Step           Time
      247860000   495720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48158e+03    1.84435e+04    1.24485e+04    1.03133e+03   -2.84708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50777e+03    1.03953e+05    2.81056e+05   -1.71911e+04   -2.15745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20715e+04   -1.73650e+06    3.47040e+05   -1.38946e+06    7.53802e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11455e+02   -2.12036e+02    4.18233e+01    3.35131e-06

           Step           Time
      247865000   495730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58168e+03    1.78322e+04    1.23639e+04    1.01764e+03   -2.88038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52876e+03    1.03912e+05    2.82002e+05   -1.72213e+04   -2.15752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21372e+04   -1.73624e+06    3.45022e+05   -1.39122e+06    7.54210e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09644e+02   -2.12780e+02    5.25979e+01    3.35862e-06

           Step           Time
      247870000   495740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54943e+03    1.81101e+04    1.23020e+04    1.13334e+03   -2.98544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44531e+03    1.04084e+05    2.80650e+05   -1.71569e+04   -2.15547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20340e+04   -1.73530e+06    3.45317e+05   -1.38999e+06    7.54569e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09909e+02   -2.11194e+02   -1.25103e+01    3.18688e-06

           Step           Time
      247875000   495750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31146e+03    1.79638e+04    1.25219e+04    1.18718e+03   -2.84249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55149e+03    1.04248e+05    2.80467e+05   -1.71609e+04   -2.15489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20294e+04   -1.73461e+06    3.46858e+05   -1.38776e+06    7.54315e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11291e+02   -2.11291e+02    2.88409e+01    3.46214e-06

           Step           Time
      247880000   495760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34365e+03    1.83290e+04    1.23216e+04    1.18466e+03   -2.94368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48971e+03    1.04218e+05    2.77817e+05   -1.71814e+04   -2.15037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19455e+04   -1.73285e+06    3.46071e+05   -1.38678e+06    7.54715e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10585e+02   -2.11798e+02   -5.84803e+01    3.41413e-06

           Step           Time
      247885000   495770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77019e+03    1.86053e+04    1.25407e+04    1.09550e+03   -2.89624e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36941e+03    1.03753e+05    2.78465e+05   -1.71919e+04   -2.15136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19214e+04   -1.73293e+06    3.45755e+05   -1.38718e+06    7.55604e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10301e+02   -2.12055e+02   -1.09486e+02    3.33237e-06

           Step           Time
      247890000   495780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62369e+03    1.81240e+04    1.24411e+04    1.07435e+03   -2.84794e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49878e+03    1.04405e+05    2.80201e+05   -1.71880e+04   -2.15533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21513e+04   -1.73484e+06    3.45539e+05   -1.38930e+06    7.55991e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10108e+02   -2.11960e+02   -3.19068e+01    3.40691e-06

           Step           Time
      247895000   495790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28235e+03    1.88437e+04    1.23764e+04    9.95344e+02   -2.81868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67126e+03    1.04300e+05    2.81008e+05   -1.72175e+04   -2.15367e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20951e+04   -1.73213e+06    3.47134e+05   -1.38500e+06    7.56398e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11540e+02   -2.12688e+02    8.57698e+01    3.19551e-06

           Step           Time
      247900000   495800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43932e+03    1.85450e+04    1.25680e+04    1.17196e+03   -2.84459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39374e+03    1.04050e+05    2.78623e+05   -1.71632e+04   -2.15298e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19750e+04   -1.73422e+06    3.46373e+05   -1.38785e+06    7.56010e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10856e+02   -2.11349e+02   -1.22722e+02    3.62174e-06

           Step           Time
      247905000   495810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23885e+03    1.78634e+04    1.22798e+04    1.06292e+03   -2.85361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64144e+03    1.04335e+05    2.81179e+05   -1.72498e+04   -2.15763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20317e+04   -1.73710e+06    3.44748e+05   -1.39235e+06    7.56676e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09398e+02   -2.13484e+02    6.45487e+01    3.34081e-06

           Step           Time
      247910000   495820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29300e+03    1.83346e+04    1.23554e+04    1.09990e+03   -2.97558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56903e+03    1.04237e+05    2.80307e+05   -1.71770e+04   -2.15548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20547e+04   -1.73538e+06    3.47840e+05   -1.38754e+06    7.57151e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12173e+02   -2.11688e+02   -2.36344e+01    3.23371e-06

           Step           Time
      247915000   495830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60329e+03    1.81424e+04    1.22815e+04    1.07580e+03   -2.82211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57347e+03    1.04215e+05    2.82051e+05   -1.72232e+04   -2.15593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19494e+04   -1.73409e+06    3.49532e+05   -1.38456e+06    7.57585e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13691e+02   -2.12826e+02    1.14111e+02    3.23869e-06

           Step           Time
      247920000   495840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61163e+03    1.83930e+04    1.23406e+04    1.05786e+03   -2.87669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50404e+03    1.04197e+05    2.79433e+05   -1.71415e+04   -2.15195e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20642e+04   -1.73237e+06    3.46835e+05   -1.38553e+06    7.57961e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11271e+02   -2.10817e+02   -7.54132e+01    3.32692e-06

           Step           Time
      247925000   495850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82494e+03    1.79151e+04    1.24780e+04    1.09089e+03   -2.78474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43747e+03    1.04220e+05    2.84019e+05   -1.72030e+04   -2.16008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19493e+04   -1.73613e+06    3.46008e+05   -1.39012e+06    7.58875e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10529e+02   -2.12330e+02    1.25521e+01    3.15006e-06

           Step           Time
      247930000   495860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49399e+03    1.82291e+04    1.23367e+04    1.10467e+03   -2.87992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58046e+03    1.04193e+05    2.78959e+05   -1.72320e+04   -2.15515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19968e+04   -1.73637e+06    3.46694e+05   -1.38968e+06    7.58939e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11144e+02   -2.13044e+02   -4.28755e+00    3.34448e-06

           Step           Time
      247935000   495870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60594e+03    1.78304e+04    1.21025e+04    1.09376e+03   -2.79642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51297e+03    1.04594e+05    2.84952e+05   -1.72371e+04   -2.16049e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18303e+04   -1.73600e+06    3.46702e+05   -1.38930e+06    7.59330e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11152e+02   -2.13170e+02    1.83632e+02    3.33587e-06

           Step           Time
      247940000   495880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32168e+03    1.78822e+04    1.22734e+04    1.04190e+03   -2.82751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58542e+03    1.04764e+05    2.80667e+05   -1.71656e+04   -2.15514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19958e+04   -1.73460e+06    3.45754e+05   -1.38884e+06    7.59422e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10301e+02   -2.11409e+02    1.83304e+01    3.33275e-06

           Step           Time
      247945000   495890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49687e+03    1.81106e+04    1.23689e+04    1.03259e+03   -2.92892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45975e+03    1.04261e+05    2.80476e+05   -1.71905e+04   -2.15637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18932e+04   -1.73639e+06    3.45689e+05   -1.39070e+06    7.59156e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10242e+02   -2.12022e+02   -5.46953e+01    3.59991e-06

           Step           Time
      247950000   495900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55174e+03    1.80180e+04    1.23959e+04    1.04401e+03   -2.79728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46400e+03    1.04471e+05    2.81250e+05   -1.72028e+04   -2.15779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18685e+04   -1.73672e+06    3.46031e+05   -1.39069e+06    7.59776e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10549e+02   -2.12324e+02   -8.94899e+00    3.23138e-06

           Step           Time
      247955000   495910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65436e+03    1.81156e+04    1.25597e+04    1.10943e+03   -2.78460e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56380e+03    1.04426e+05    2.79993e+05   -1.71556e+04   -2.15412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20577e+04   -1.73358e+06    3.47498e+05   -1.38608e+06    7.59985e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11866e+02   -2.11162e+02    9.40680e+00    3.19628e-06

           Step           Time
      247960000   495920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43695e+03    1.84674e+04    1.24690e+04    1.12259e+03   -2.87729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51302e+03    1.04449e+05    2.79203e+05   -1.71744e+04   -2.15131e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20388e+04   -1.73167e+06    3.46140e+05   -1.38552e+06    7.60188e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10648e+02   -2.11624e+02   -1.00232e+01    3.52451e-06

           Step           Time
      247965000   495930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45929e+03    1.82934e+04    1.24349e+04    1.08819e+03   -2.89525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45667e+03    1.04785e+05    2.79596e+05   -1.71532e+04   -2.15561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21511e+04   -1.73539e+06    3.46115e+05   -1.38928e+06    7.60709e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10625e+02   -2.11104e+02   -9.18919e+01    3.30345e-06

           Step           Time
      247970000   495940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35263e+03    1.82332e+04    1.24516e+04    1.04726e+03   -2.84207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53097e+03    1.04869e+05    2.80311e+05   -1.71351e+04   -2.15454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20440e+04   -1.73368e+06    3.46499e+05   -1.38718e+06    7.60538e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10970e+02   -2.10657e+02    1.34489e+01    3.36734e-06

           Step           Time
      247975000   495950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43108e+03    1.80666e+04    1.23625e+04    1.10031e+03   -2.81010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52386e+03    1.04569e+05    2.81057e+05   -1.71955e+04   -2.15708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18952e+04   -1.73608e+06    3.47820e+05   -1.38826e+06    7.60849e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12155e+02   -2.12144e+02    2.13483e+01    3.30236e-06

           Step           Time
      247980000   495960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58967e+03    1.76789e+04    1.21757e+04    1.05094e+03   -2.95085e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48449e+03    1.04843e+05    2.79170e+05   -1.72044e+04   -2.15609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21387e+04   -1.73711e+06    3.45334e+05   -1.39178e+06    7.61004e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09924e+02   -2.12365e+02   -9.05811e+01    3.36092e-06

           Step           Time
      247985000   495970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36490e+03    1.84965e+04    1.24546e+04    1.09307e+03   -2.88651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51247e+03    1.04719e+05    2.81200e+05   -1.71916e+04   -2.15430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20900e+04   -1.73245e+06    3.46020e+05   -1.38643e+06    7.61578e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10539e+02   -2.12049e+02    7.87990e+01    3.51761e-06

           Step           Time
      247990000   495980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74170e+03    1.83897e+04    1.23244e+04    1.03153e+03   -2.89094e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40924e+03    1.03920e+05    2.78763e+05   -1.71952e+04   -2.15343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21190e+04   -1.73482e+06    3.46520e+05   -1.38830e+06    7.61935e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10988e+02   -2.12137e+02   -6.37287e+01    3.23073e-06

           Step           Time
      247995000   495990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40616e+03    1.80469e+04    1.21864e+04    1.13103e+03   -2.79556e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53138e+03    1.04709e+05    2.82562e+05   -1.72166e+04   -2.15865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21508e+04   -1.73594e+06    3.45869e+05   -1.39007e+06    7.62321e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10404e+02   -2.12665e+02    6.76093e+01    3.30342e-06

           Step           Time
      248000000   496000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40589e+03    1.84631e+04    1.23087e+04    1.02328e+03   -2.74885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40637e+03    1.04454e+05    2.81240e+05   -1.72074e+04   -2.15713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19905e+04   -1.73580e+06    3.45792e+05   -1.39001e+06    7.62498e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10335e+02   -2.12439e+02    4.65955e+01    3.28977e-06

           Step           Time
      248005000   496010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57492e+03    1.76865e+04    1.24504e+04    1.10365e+03   -2.79169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43240e+03    1.04555e+05    2.80196e+05   -1.71530e+04   -2.15381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19218e+04   -1.73383e+06    3.45204e+05   -1.38863e+06    7.62411e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09807e+02   -2.11099e+02   -9.03804e+01    3.31518e-06

           Step           Time
      248010000   496020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35952e+03    1.79690e+04    1.24383e+04    1.08873e+03   -2.88561e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47801e+03    1.04845e+05    2.80229e+05   -1.71567e+04   -2.15557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19696e+04   -1.73523e+06    3.47826e+05   -1.38740e+06    7.62555e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12160e+02   -2.11190e+02   -2.80840e+01    3.38051e-06

           Step           Time
      248015000   496030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39899e+03    1.82729e+04    1.21290e+04    1.11956e+03   -2.72821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43941e+03    1.04497e+05    2.79800e+05   -1.72182e+04   -2.15577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18968e+04   -1.73616e+06    3.47662e+05   -1.38850e+06    7.62959e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12013e+02   -2.12704e+02   -4.94918e+00    3.23745e-06

           Step           Time
      248020000   496040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60539e+03    1.81224e+04    1.21416e+04    1.00675e+03   -2.84286e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55302e+03    1.04105e+05    2.77669e+05   -1.71395e+04   -2.15241e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19800e+04   -1.73521e+06    3.46579e+05   -1.38863e+06    7.62984e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11042e+02   -2.10768e+02   -1.42082e+02    3.32666e-06

           Step           Time
      248025000   496050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27339e+03    1.78590e+04    1.23535e+04    1.09307e+03   -2.80209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59242e+03    1.04568e+05    2.81077e+05   -1.71680e+04   -2.15859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19311e+04   -1.73781e+06    3.45004e+05   -1.39281e+06    7.63349e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09628e+02   -2.11466e+02   -3.77402e+01    3.30920e-06

           Step           Time
      248030000   496060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41679e+03    1.78995e+04    1.23625e+04    1.01595e+03   -2.79546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54482e+03    1.04098e+05    2.81569e+05   -1.72014e+04   -2.15702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19086e+04   -1.73620e+06    3.45730e+05   -1.39047e+06    7.63576e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10280e+02   -2.12290e+02    3.86211e+01    3.28835e-06

           Step           Time
      248035000   496070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59734e+03    1.86543e+04    1.23517e+04    1.03938e+03   -2.80595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45691e+03    1.03987e+05    2.79655e+05   -1.71909e+04   -2.15255e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21731e+04   -1.73263e+06    3.46478e+05   -1.38616e+06    7.64128e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10951e+02   -2.12030e+02   -3.93004e+01    3.27813e-06

           Step           Time
      248040000   496080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65193e+03    1.81678e+04    1.22777e+04    1.11086e+03   -2.86662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52823e+03    1.04241e+05    2.81281e+05   -1.71945e+04   -2.15675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21453e+04   -1.73540e+06    3.45169e+05   -1.39023e+06    7.64269e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09776e+02   -2.12120e+02   -5.68276e+00    3.27396e-06

           Step           Time
      248045000   496090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54447e+03    1.83042e+04    1.23917e+04    1.01116e+03   -2.82735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58354e+03    1.04334e+05    2.81929e+05   -1.71802e+04   -2.15364e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20025e+04   -1.73154e+06    3.47976e+05   -1.38357e+06    7.63894e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12295e+02   -2.11768e+02    1.43795e+02    3.49735e-06

           Step           Time
      248050000   496100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58154e+03    1.85326e+04    1.23686e+04    1.06584e+03   -2.83959e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46994e+03    1.04353e+05    2.80023e+05   -1.71739e+04   -2.15479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21487e+04   -1.73426e+06    3.46786e+05   -1.38747e+06    7.64906e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11227e+02   -2.11612e+02   -1.17941e+01    3.31995e-06

           Step           Time
      248055000   496110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55012e+03    1.80602e+04    1.23445e+04    1.05674e+03   -2.86352e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62373e+03    1.04259e+05    2.81304e+05   -1.71840e+04   -2.15680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18496e+04   -1.73580e+06    3.46276e+05   -1.38952e+06    7.65126e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10769e+02   -2.11861e+02    1.66422e+01    3.54754e-06

           Step           Time
      248060000   496120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53415e+03    1.80322e+04    1.24111e+04    1.04927e+03   -2.89337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50525e+03    1.04478e+05    2.78776e+05   -1.71947e+04   -2.15372e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19659e+04   -1.73506e+06    3.46746e+05   -1.38831e+06    7.65140e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11191e+02   -2.12124e+02   -7.42828e+01    3.24624e-06

           Step           Time
      248065000   496130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43305e+03    1.79039e+04    1.23972e+04    1.07500e+03   -2.86428e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51781e+03    1.04409e+05    2.81962e+05   -1.72345e+04   -2.15887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20018e+04   -1.73727e+06    3.46138e+05   -1.39113e+06    7.65846e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10645e+02   -2.13106e+02    1.11876e+01    3.27443e-06

           Step           Time
      248070000   496140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60898e+03    1.80723e+04    1.23922e+04    1.13347e+03   -2.98303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45783e+03    1.04255e+05    2.82145e+05   -1.71734e+04   -2.15676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20489e+04   -1.73480e+06    3.44899e+05   -1.38991e+06    7.66619e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09533e+02   -2.11601e+02    2.65999e+01    3.33891e-06

           Step           Time
      248075000   496150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60882e+03    1.82687e+04    1.23339e+04    1.05836e+03   -2.85143e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41049e+03    1.03921e+05    2.78116e+05   -1.71965e+04   -2.15191e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21360e+04   -1.73411e+06    3.46093e+05   -1.38801e+06    7.66236e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10605e+02   -2.12170e+02   -8.15314e+01    3.32780e-06

           Step           Time
      248080000   496160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71611e+03    1.81842e+04    1.24656e+04    1.11836e+03   -2.89421e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40900e+03    1.04277e+05    2.79484e+05   -1.71921e+04   -2.15435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19821e+04   -1.73480e+06    3.48237e+05   -1.38656e+06    7.66544e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12530e+02   -2.12060e+02   -4.33222e+01    3.37680e-06

           Step           Time
      248085000   496170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52873e+03    1.83405e+04    1.24125e+04    9.99298e+02   -2.86885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35369e+03    1.04330e+05    2.80961e+05   -1.71701e+04   -2.15751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19881e+04   -1.73664e+06    3.46552e+05   -1.39008e+06    7.66661e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11017e+02   -2.11518e+02   -2.29079e+01    3.23509e-06

           Step           Time
      248090000   496180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60275e+03    1.80251e+04    1.23093e+04    1.10513e+03   -2.99804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46560e+03    1.04237e+05    2.83651e+05   -1.72175e+04   -2.15903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19088e+04   -1.73594e+06    3.44024e+05   -1.39192e+06    7.67471e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08748e+02   -2.12686e+02    7.69122e+01    3.27658e-06

           Step           Time
      248095000   496190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36862e+03    1.82174e+04    1.21897e+04    1.17562e+03   -2.88511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47910e+03    1.04386e+05    2.79387e+05   -1.71796e+04   -2.15681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19203e+04   -1.73775e+06    3.47153e+05   -1.39060e+06    7.67281e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11556e+02   -2.11754e+02   -1.25758e+02    3.34650e-06

           Step           Time
      248100000   496200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54127e+03    1.77518e+04    1.22497e+04    9.90570e+02   -2.83402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52060e+03    1.04741e+05    2.81403e+05   -1.72095e+04   -2.15982e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20594e+04   -1.73860e+06    3.46080e+05   -1.39252e+06    7.67766e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10593e+02   -2.12490e+02   -4.91364e+01    3.28470e-06

           Step           Time
      248105000   496210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26243e+03    1.84559e+04    1.21335e+04    1.05695e+03   -2.88187e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50253e+03    1.04083e+05    2.80390e+05   -1.71880e+04   -2.15419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18806e+04   -1.73449e+06    3.46983e+05   -1.38751e+06    7.67400e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11404e+02   -2.11959e+02    3.01430e+01    3.32681e-06

           Step           Time
      248110000   496220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94465e+03    1.82963e+04    1.24287e+04    1.07785e+03   -2.99102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49367e+03    1.04010e+05    2.80164e+05   -1.71681e+04   -2.15375e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18288e+04   -1.73366e+06    3.45923e+05   -1.38774e+06    7.68261e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10452e+02   -2.11469e+02   -5.53909e+01    3.41074e-06

           Step           Time
      248115000   496230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48765e+03    1.81293e+04    1.23434e+04    1.02034e+03   -2.88015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56793e+03    1.04544e+05    2.78861e+05   -1.72206e+04   -2.15548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20532e+04   -1.73657e+06    3.47666e+05   -1.38891e+06    7.68098e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12017e+02   -2.12762e+02   -5.39330e+01    3.44767e-06

           Step           Time
      248120000   496240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43710e+03    1.82012e+04    1.23464e+04    1.11548e+03   -2.85854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45858e+03    1.04222e+05    2.79065e+05   -1.71580e+04   -2.15227e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19600e+04   -1.73348e+06    3.46174e+05   -1.38730e+06    7.68822e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10678e+02   -2.11222e+02   -6.28735e+01    3.18654e-06

           Step           Time
      248125000   496250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46107e+03    1.82395e+04    1.23354e+04    1.07656e+03   -2.84961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62094e+03    1.04429e+05    2.82486e+05   -1.71864e+04   -2.15602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19562e+04   -1.73345e+06    3.46369e+05   -1.38708e+06    7.68850e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10853e+02   -2.11920e+02    1.46002e+02    3.40172e-06

           Step           Time
      248130000   496260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42233e+03    1.82523e+04    1.23620e+04    1.13676e+03   -2.86648e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50897e+03    1.04826e+05    2.80430e+05   -1.71607e+04   -2.15402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20724e+04   -1.73304e+06    3.47770e+05   -1.38527e+06    7.69152e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12110e+02   -2.11287e+02   -1.41045e+01    3.54773e-06

Writing checkpoint, step 248131100 at Sat Dec  2 04:08:07 2023


           Step           Time
      248135000   496270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54261e+03    1.81523e+04    1.24978e+04    1.11191e+03   -2.89337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46897e+03    1.04222e+05    2.81439e+05   -1.72098e+04   -2.15715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20165e+04   -1.73580e+06    3.46100e+05   -1.38970e+06    7.69386e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10612e+02   -2.12496e+02    5.11770e+01    3.39566e-06

           Step           Time
      248140000   496280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39437e+03    1.84240e+04    1.23740e+04    1.03033e+03   -2.83626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45940e+03    1.04270e+05    2.80459e+05   -1.72136e+04   -2.15590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19584e+04   -1.73558e+06    3.47648e+05   -1.38794e+06    7.69618e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12000e+02   -2.12590e+02    2.70497e+01    3.61189e-06

           Step           Time
      248145000   496290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43790e+03    1.84447e+04    1.23669e+04    1.10463e+03   -2.92623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44653e+03    1.04122e+05    2.82156e+05   -1.71837e+04   -2.15782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21805e+04   -1.73567e+06    3.48346e+05   -1.38732e+06    7.69949e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12627e+02   -2.11853e+02    3.35357e+01    3.45099e-06

           Step           Time
      248150000   496300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67619e+03    1.82662e+04    1.23209e+04    1.13943e+03   -2.85409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36158e+03    1.04326e+05    2.80936e+05   -1.72087e+04   -2.15526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18175e+04   -1.73448e+06    3.47105e+05   -1.38738e+06    7.69894e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11513e+02   -2.12469e+02   -2.33550e+01    3.31850e-06

           Step           Time
      248155000   496310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60780e+03    1.80976e+04    1.23026e+04    1.10513e+03   -2.79978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45092e+03    1.05061e+05    2.79692e+05   -1.71828e+04   -2.15195e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21219e+04   -1.73150e+06    3.46981e+05   -1.38451e+06    7.70299e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11402e+02   -2.11832e+02    2.19909e+01    3.33800e-06

           Step           Time
      248160000   496320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52810e+03    1.81374e+04    1.23208e+04    1.10568e+03   -2.79815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50665e+03    1.04734e+05    2.80574e+05   -1.72239e+04   -2.15949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18678e+04   -1.73874e+06    3.48722e+05   -1.39002e+06    7.70924e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12965e+02   -2.12845e+02   -2.12694e+01    3.10955e-06

           Step           Time
      248165000   496330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56071e+03    1.78814e+04    1.24001e+04    1.12746e+03   -2.81539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45510e+03    1.04140e+05    2.80348e+05   -1.71638e+04   -2.15763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19609e+04   -1.73774e+06    3.46638e+05   -1.39110e+06    7.70795e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11094e+02   -2.11364e+02   -2.38024e+01    3.33396e-06

           Step           Time
      248170000   496340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48485e+03    1.81566e+04    1.22683e+04    1.06116e+03   -2.83613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49016e+03    1.04363e+05    2.77894e+05   -1.71991e+04   -2.15028e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20170e+04   -1.73258e+06    3.46647e+05   -1.38594e+06    7.71342e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11102e+02   -2.12234e+02   -2.80262e+01    3.47963e-06

           Step           Time
      248175000   496350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32208e+03    1.80952e+04    1.22496e+04    1.03820e+03   -2.79038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51682e+03    1.04470e+05    2.80666e+05   -1.71950e+04   -2.15702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23552e+04   -1.73629e+06    3.45295e+05   -1.39099e+06    7.71599e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09889e+02   -2.12132e+02   -1.35449e+01    3.39621e-06

           Step           Time
      248180000   496360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33725e+03    1.81212e+04    1.23368e+04    1.05407e+03   -2.90537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55394e+03    1.04540e+05    2.81749e+05   -1.72076e+04   -2.15750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19168e+04   -1.73600e+06    3.44349e+05   -1.39166e+06    7.72126e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09039e+02   -2.12443e+02    5.21896e+01    3.36431e-06

           Step           Time
      248185000   496370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64118e+03    1.86566e+04    1.21842e+04    1.06312e+03   -2.78559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50352e+03    1.04293e+05    2.81699e+05   -1.71892e+04   -2.15580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20539e+04   -1.73368e+06    3.47273e+05   -1.38641e+06    7.72544e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11664e+02   -2.11990e+02    7.16973e+01    3.26127e-06

           Step           Time
      248190000   496380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43586e+03    1.80585e+04    1.23965e+04    1.09972e+03   -2.83251e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53126e+03    1.04099e+05    2.80371e+05   -1.72398e+04   -2.15516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21734e+04   -1.73506e+06    3.47176e+05   -1.38789e+06    7.72216e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11577e+02   -2.13237e+02    1.23008e+02    3.46079e-06

           Step           Time
      248195000   496390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36502e+03    1.83142e+04    1.21915e+04    9.82245e+02   -2.67628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43076e+03    1.04214e+05    2.78618e+05   -1.71561e+04   -2.15181e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19794e+04   -1.73355e+06    3.47553e+05   -1.38600e+06    7.72708e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11915e+02   -2.11175e+02   -5.55675e+01    3.39390e-06

           Step           Time
      248200000   496400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40512e+03    1.80623e+04    1.23729e+04    1.02156e+03   -2.74728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49370e+03    1.04034e+05    2.82942e+05   -1.72114e+04   -2.16103e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18892e+04   -1.73877e+06    3.46523e+05   -1.39224e+06    7.73338e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10991e+02   -2.12536e+02    4.82293e+00    3.29384e-06

           Step           Time
      248205000   496410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55214e+03    1.82163e+04    1.25218e+04    1.11540e+03   -2.78610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52209e+03    1.04109e+05    2.80219e+05   -1.71777e+04   -2.15492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21019e+04   -1.73453e+06    3.47258e+05   -1.38727e+06    7.73108e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11651e+02   -2.11707e+02   -2.40408e+01    3.37495e-06

           Step           Time
      248210000   496420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32414e+03    1.81311e+04    1.24127e+04    1.05773e+03   -2.88994e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54668e+03    1.04386e+05    2.78564e+05   -1.72024e+04   -2.15409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18724e+04   -1.73589e+06    3.45167e+05   -1.39072e+06    7.74015e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09774e+02   -2.12313e+02   -4.75301e+01    3.33377e-06

           Step           Time
      248215000   496430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41277e+03    1.84579e+04    1.23682e+04    1.07660e+03   -2.75835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32715e+03    1.04439e+05    2.80409e+05   -1.71872e+04   -2.15517e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21196e+04   -1.73450e+06    3.46360e+05   -1.38814e+06    7.74256e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10845e+02   -2.11941e+02    4.34430e+00    3.25406e-06

           Step           Time
      248220000   496440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61149e+03    1.84102e+04    1.21937e+04    1.07379e+03   -2.75280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54381e+03    1.03987e+05    2.80071e+05   -1.71738e+04   -2.15573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19919e+04   -1.73578e+06    3.47592e+05   -1.38818e+06    7.74264e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11950e+02   -2.11609e+02   -6.67828e+01    3.23849e-06

           Step           Time
      248225000   496450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38418e+03    1.83298e+04    1.24508e+04    1.02719e+03   -2.87257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47453e+03    1.04532e+05    2.83211e+05   -1.72051e+04   -2.15924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20622e+04   -1.73585e+06    3.45936e+05   -1.38991e+06    7.74796e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10464e+02   -2.12380e+02    6.62227e+01    3.31495e-06

           Step           Time
      248230000   496460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48441e+03    1.81361e+04    1.24123e+04    1.14837e+03   -2.83389e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52230e+03    1.04176e+05    2.80334e+05   -1.72012e+04   -2.15596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21551e+04   -1.73563e+06    3.45689e+05   -1.38994e+06    7.74769e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10242e+02   -2.12285e+02   -5.60490e+01    3.45561e-06

           Step           Time
      248235000   496470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56560e+03    1.86057e+04    1.22153e+04    1.03627e+03   -2.80659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56610e+03    1.04454e+05    2.79695e+05   -1.72044e+04   -2.15540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17835e+04   -1.73549e+06    3.46662e+05   -1.38883e+06    7.75259e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11116e+02   -2.12363e+02    4.13653e+01    3.23551e-06

           Step           Time
      248240000   496480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32327e+03    1.81930e+04    1.24259e+04    1.09527e+03   -2.85429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69161e+03    1.04661e+05    2.80831e+05   -1.72044e+04   -2.15316e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20233e+04   -1.73197e+06    3.45377e+05   -1.38660e+06    7.75342e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09962e+02   -2.12364e+02    7.53057e+01    3.36440e-06

           Step           Time
      248245000   496490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50472e+03    1.82210e+04    1.24136e+04    1.09973e+03   -2.92631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51112e+03    1.04354e+05    2.81937e+05   -1.71973e+04   -2.15810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20376e+04   -1.73615e+06    3.48358e+05   -1.38779e+06    7.75249e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12638e+02   -2.12188e+02    6.87819e+01    3.35956e-06

           Step           Time
      248250000   496500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40390e+03    1.83074e+04    1.23050e+04    1.07811e+03   -2.85229e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39134e+03    1.04455e+05    2.79694e+05   -1.71764e+04   -2.15479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21379e+04   -1.73505e+06    3.46600e+05   -1.38845e+06    7.75436e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11060e+02   -2.11674e+02   -4.43609e+01    3.32221e-06

           Step           Time
      248255000   496510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52243e+03    1.81158e+04    1.23274e+04    1.04559e+03   -2.82643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58933e+03    1.04518e+05    2.80920e+05   -1.71943e+04   -2.15543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19511e+04   -1.73446e+06    3.47759e+05   -1.38670e+06    7.75405e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12100e+02   -2.12114e+02    7.67907e+01    3.34276e-06

           Step           Time
      248260000   496520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81197e+03    1.83066e+04    1.22345e+04    1.04704e+03   -2.84751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49267e+03    1.04133e+05    2.81085e+05   -1.72227e+04   -2.15581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20798e+04   -1.73469e+06    3.46504e+05   -1.38819e+06    7.76046e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10974e+02   -2.12816e+02    1.67336e+01    3.33341e-06

           Step           Time
      248265000   496530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68369e+03    1.80671e+04    1.22535e+04    1.07306e+03   -2.90541e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46524e+03    1.04201e+05    2.81281e+05   -1.71732e+04   -2.15840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23043e+04   -1.73715e+06    3.45838e+05   -1.39131e+06    7.76448e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10376e+02   -2.11596e+02   -5.13957e+01    3.34206e-06

           Step           Time
      248270000   496540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59828e+03    1.79446e+04    1.23805e+04    1.01842e+03   -2.85418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48768e+03    1.04349e+05    2.82543e+05   -1.71528e+04   -2.15670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19808e+04   -1.73440e+06    3.47272e+05   -1.38713e+06    7.76622e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11664e+02   -2.11093e+02    6.73370e+01    3.36815e-06

           Step           Time
      248275000   496550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55144e+03    1.83531e+04    1.23190e+04    1.08981e+03   -2.83960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45419e+03    1.04703e+05    2.81567e+05   -1.72214e+04   -2.15645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21416e+04   -1.73433e+06    3.46990e+05   -1.38734e+06    7.76521e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11410e+02   -2.12782e+02    7.40760e+01    3.38628e-06

           Step           Time
      248280000   496560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73022e+03    1.80609e+04    1.24140e+04    1.11636e+03   -2.85019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43490e+03    1.04143e+05    2.77719e+05   -1.71643e+04   -2.15163e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20511e+04   -1.73397e+06    3.45699e+05   -1.38827e+06    7.77034e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10251e+02   -2.11375e+02   -1.79958e+02    3.35985e-06

           Step           Time
      248285000   496570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45754e+03    1.83707e+04    1.23676e+04    1.04887e+03   -2.77557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65787e+03    1.04079e+05    2.82960e+05   -1.72087e+04   -2.15694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20204e+04   -1.73397e+06    3.46021e+05   -1.38795e+06    7.77230e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10541e+02   -2.12470e+02    1.17373e+02    3.56519e-06

           Step           Time
      248290000   496580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43806e+03    1.77815e+04    1.24768e+04    1.12423e+03   -2.83767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55051e+03    1.04183e+05    2.79095e+05   -1.72220e+04   -2.15479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18954e+04   -1.73631e+06    3.45562e+05   -1.39074e+06    7.77105e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10129e+02   -2.12798e+02   -1.52532e+01    3.43118e-06

           Step           Time
      248295000   496590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40088e+03    1.83883e+04    1.24891e+04    1.06655e+03   -2.78316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45219e+03    1.04020e+05    2.80731e+05   -1.72044e+04   -2.15492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20666e+04   -1.73429e+06    3.45970e+05   -1.38832e+06    7.77804e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10495e+02   -2.12363e+02    3.70268e+01    3.43008e-06

           Step           Time
      248300000   496600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52820e+03    1.79946e+04    1.23903e+04    1.03593e+03   -2.81820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41318e+03    1.04485e+05    2.78009e+05   -1.72032e+04   -2.15371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19252e+04   -1.73595e+06    3.46604e+05   -1.38934e+06    7.77538e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11063e+02   -2.12335e+02   -1.73128e+02    3.18402e-06

           Step           Time
      248305000   496610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32756e+03    1.82132e+04    1.22365e+04    1.09340e+03   -2.75200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52454e+03    1.04411e+05    2.80772e+05   -1.71921e+04   -2.15549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19526e+04   -1.73490e+06    3.47144e+05   -1.38776e+06    7.77836e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11548e+02   -2.12060e+02    3.49933e+01    3.50366e-06

           Step           Time
      248310000   496620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46966e+03    1.78668e+04    1.24778e+04    9.98966e+02   -2.88342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48200e+03    1.03778e+05    2.78952e+05   -1.71898e+04   -2.15492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21543e+04   -1.73682e+06    3.45421e+05   -1.39139e+06    7.78189e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10002e+02   -2.12005e+02   -1.05063e+02    3.53816e-06

           Step           Time
      248315000   496630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61560e+03    1.84876e+04    1.22311e+04    1.03198e+03   -2.86892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42754e+03    1.04351e+05    2.80206e+05   -1.71996e+04   -2.15354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21086e+04   -1.73315e+06    3.45914e+05   -1.38723e+06    7.78646e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10445e+02   -2.12245e+02    4.96796e+01    3.34120e-06

           Step           Time
      248320000   496640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55293e+03    1.87720e+04    1.23406e+04    1.04793e+03   -2.91658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42156e+03    1.03953e+05    2.81331e+05   -1.71624e+04   -2.15522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18753e+04   -1.73401e+06    3.45111e+05   -1.38890e+06    7.79084e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09723e+02   -2.11330e+02    1.07364e+01    3.28855e-06

           Step           Time
      248325000   496650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34996e+03    1.83630e+04    1.22721e+04    1.08433e+03   -2.83885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54144e+03    1.04236e+05    2.81684e+05   -1.72227e+04   -2.15771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19533e+04   -1.73628e+06    3.47600e+05   -1.38868e+06    7.78984e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11958e+02   -2.12816e+02    3.43608e+01    3.28315e-06

           Step           Time
      248330000   496660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33854e+03    1.78492e+04    1.27323e+04    1.05519e+03   -2.98394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41847e+03    1.05141e+05    2.82197e+05   -1.71905e+04   -2.15981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20306e+04   -1.73723e+06    3.46919e+05   -1.39031e+06    7.78960e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11346e+02   -2.12022e+02    4.22689e+01    3.26942e-06

           Step           Time
      248335000   496670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.16413e+03    1.79889e+04    1.23338e+04    9.91750e+02   -2.88558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48004e+03    1.04392e+05    2.81340e+05   -1.71759e+04   -2.15665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18957e+04   -1.73613e+06    3.44732e+05   -1.39139e+06    7.79121e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09383e+02   -2.11662e+02    4.34836e+01    3.37034e-06

           Step           Time
      248340000   496680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39723e+03    1.83488e+04    1.22867e+04    1.04639e+03   -2.91825e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62759e+03    1.04185e+05    2.80171e+05   -1.72053e+04   -2.15784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18587e+04   -1.73804e+06    3.46476e+05   -1.39156e+06    7.79886e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10949e+02   -2.12385e+02    8.37459e+00    3.37348e-06

           Step           Time
      248345000   496690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45473e+03    1.81666e+04    1.21645e+04    1.02691e+03   -2.81346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51192e+03    1.04474e+05    2.79528e+05   -1.72055e+04   -2.15556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18877e+04   -1.73636e+06    3.46333e+05   -1.39003e+06    7.80051e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10821e+02   -2.12390e+02   -6.12471e+01    3.43484e-06

           Step           Time
      248350000   496700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56208e+03    1.81898e+04    1.23346e+04    1.08537e+03   -2.83854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52779e+03    1.04544e+05    2.80887e+05   -1.71682e+04   -2.15657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20214e+04   -1.73543e+06    3.45325e+05   -1.39010e+06    7.80531e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09916e+02   -2.11472e+02   -1.33280e+01    3.50506e-06

           Step           Time
      248355000   496710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62696e+03    1.79398e+04    1.23761e+04    1.19016e+03   -2.79341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50780e+03    1.04414e+05    2.80448e+05   -1.71877e+04   -2.15608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18347e+04   -1.73573e+06    3.46990e+05   -1.38874e+06    7.80736e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11410e+02   -2.11953e+02   -1.63284e+01    3.21936e-06

           Step           Time
      248360000   496720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49019e+03    1.79243e+04    1.22170e+04    1.05838e+03   -2.78905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62557e+03    1.04773e+05    2.80491e+05   -1.72057e+04   -2.15640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21937e+04   -1.73562e+06    3.48220e+05   -1.38740e+06    7.80715e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12514e+02   -2.12396e+02    6.43978e+01    3.32815e-06

           Step           Time
      248365000   496730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49331e+03    1.84700e+04    1.22513e+04    1.13142e+03   -2.81608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41039e+03    1.04172e+05    2.81532e+05   -1.71856e+04   -2.15795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19943e+04   -1.73650e+06    3.45683e+05   -1.39081e+06    7.81291e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10237e+02   -2.11901e+02   -2.09143e+01    3.37376e-06

           Step           Time
      248370000   496740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36846e+03    1.83095e+04    1.23827e+04    1.13938e+03   -2.86150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40666e+03    1.04378e+05    2.78759e+05   -1.71973e+04   -2.15419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17912e+04   -1.73572e+06    3.45021e+05   -1.39070e+06    7.81592e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09643e+02   -2.12188e+02   -6.54276e+01    3.30184e-06

           Step           Time
      248375000   496750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39108e+03    1.84490e+04    1.23772e+04    1.09730e+03   -2.93230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45094e+03    1.04833e+05    2.80988e+05   -1.72275e+04   -2.15696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19286e+04   -1.73560e+06    3.47257e+05   -1.38834e+06    7.82044e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11650e+02   -2.12933e+02    3.44844e+01    3.35152e-06

           Step           Time
      248380000   496760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60328e+03    1.80481e+04    1.22602e+04    1.10250e+03   -2.75455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38453e+03    1.04146e+05    2.81016e+05   -1.71987e+04   -2.15758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18587e+04   -1.73712e+06    3.45926e+05   -1.39119e+06    7.82054e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10455e+02   -2.12222e+02   -3.69023e+01    3.34037e-06

           Step           Time
      248385000   496770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75142e+03    1.79075e+04    1.22665e+04    1.12565e+03   -2.90769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50438e+03    1.04494e+05    2.80806e+05   -1.71980e+04   -2.15515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20609e+04   -1.73434e+06    3.46238e+05   -1.38810e+06    7.82841e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10735e+02   -2.12206e+02   -2.83129e+01    3.19226e-06

           Step           Time
      248390000   496780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49243e+03    1.84905e+04    1.24034e+04    1.09773e+03   -2.87371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48164e+03    1.04256e+05    2.82455e+05   -1.72393e+04   -2.15923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20125e+04   -1.73665e+06    3.46814e+05   -1.38984e+06    7.83305e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11252e+02   -2.13225e+02    3.55402e+01    3.44385e-06

           Step           Time
      248395000   496790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63433e+03    1.81305e+04    1.22010e+04    1.12746e+03   -2.78815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62444e+03    1.04169e+05    2.81187e+05   -1.71976e+04   -2.15699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19924e+04   -1.73591e+06    3.48575e+05   -1.38733e+06    7.83360e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12832e+02   -2.12197e+02   -1.11707e+01    3.45878e-06

           Step           Time
      248400000   496800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31155e+03    1.81862e+04    1.23273e+04    1.09881e+03   -2.77237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62520e+03    1.04151e+05    2.81348e+05   -1.72282e+04   -2.15800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19285e+04   -1.73702e+06    3.47457e+05   -1.38957e+06    7.83488e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11829e+02   -2.12952e+02    1.04501e+02    3.33116e-06

           Step           Time
      248405000   496810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34170e+03    1.83348e+04    1.23534e+04    1.12781e+03   -2.83670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38531e+03    1.04213e+05    2.80379e+05   -1.71730e+04   -2.15638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19434e+04   -1.73631e+06    3.46743e+05   -1.38957e+06    7.83984e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11188e+02   -2.11591e+02   -9.77725e+01    3.34306e-06

           Step           Time
      248410000   496820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26191e+03    1.82676e+04    1.22822e+04    1.12950e+03   -2.80309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60965e+03    1.04514e+05    2.77854e+05   -1.72123e+04   -2.15337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.16507e+04   -1.73582e+06    3.44186e+05   -1.39163e+06    7.84176e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08893e+02   -2.12559e+02   -8.04579e+01    3.40709e-06

           Step           Time
      248415000   496830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58033e+03    1.78743e+04    1.24478e+04    1.08985e+03   -2.79623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55268e+03    1.04467e+05    2.79845e+05   -1.71750e+04   -2.15400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20824e+04   -1.73404e+06    3.47023e+05   -1.38701e+06    7.84549e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11439e+02   -2.11639e+02    4.52118e+01    3.48781e-06

           Step           Time
      248420000   496840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74467e+03    1.81727e+04    1.25045e+04    1.07701e+03   -2.89050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46520e+03    1.04136e+05    2.82535e+05   -1.72220e+04   -2.15749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21484e+04   -1.73482e+06    3.46778e+05   -1.38804e+06    7.84639e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11220e+02   -2.12799e+02    1.21978e+01    3.34065e-06

           Step           Time
      248425000   496850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28812e+03    1.81873e+04    1.21992e+04    1.10329e+03   -2.83718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56767e+03    1.04611e+05    2.79933e+05   -1.71543e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18496e+04   -1.73731e+06    3.45253e+05   -1.39206e+06    7.85065e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09852e+02   -2.11129e+02   -8.56556e+01    3.55089e-06

           Step           Time
      248430000   496860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82494e+03    1.85609e+04    1.21453e+04    1.10228e+03   -2.75913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54624e+03    1.04170e+05    2.80156e+05   -1.72180e+04   -2.15610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20072e+04   -1.73557e+06    3.48237e+05   -1.38733e+06    7.85729e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12529e+02   -2.12699e+02   -2.81305e+01    3.42387e-06

           Step           Time
      248435000   496870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59705e+03    1.82758e+04    1.22929e+04    1.04458e+03   -2.82354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43282e+03    1.04479e+05    2.83591e+05   -1.72546e+04   -2.16253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19723e+04   -1.73892e+06    3.48217e+05   -1.39071e+06    7.85685e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12511e+02   -2.13604e+02    1.32018e+02    3.54887e-06

           Step           Time
      248440000   496880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52488e+03    1.85671e+04    1.23845e+04    1.05490e+03   -2.87739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53749e+03    1.04482e+05    2.81702e+05   -1.71635e+04   -2.15487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21049e+04   -1.73255e+06    3.47513e+05   -1.38504e+06    7.86498e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11879e+02   -2.11356e+02    5.12698e+01    3.46227e-06

           Step           Time
      248445000   496890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43466e+03    1.84131e+04    1.22118e+04    1.05314e+03   -2.90084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51405e+03    1.04476e+05    2.82691e+05   -1.71679e+04   -2.15800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18757e+04   -1.73539e+06    3.47517e+05   -1.38788e+06    7.86050e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11883e+02   -2.11466e+02    6.46701e+01    3.42928e-06

           Step           Time
      248450000   496900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53230e+03    1.87696e+04    1.24597e+04    1.12855e+03   -2.99011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45621e+03    1.04256e+05    2.81128e+05   -1.71353e+04   -2.15633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18827e+04   -1.73484e+06    3.47734e+05   -1.38711e+06    7.86625e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12078e+02   -2.10663e+02   -4.32608e+01    3.39765e-06

           Step           Time
      248455000   496910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67266e+03    1.85592e+04    1.24163e+04    1.09649e+03   -2.86335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46052e+03    1.04452e+05    2.81797e+05   -1.72125e+04   -2.15645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19621e+04   -1.73411e+06    3.48316e+05   -1.38580e+06    7.86965e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12600e+02   -2.12565e+02    1.16275e+02    3.42681e-06

           Step           Time
      248460000   496920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70209e+03    1.81138e+04    1.23619e+04    1.09345e+03   -2.85615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53464e+03    1.04030e+05    2.81579e+05   -1.72403e+04   -2.15696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18825e+04   -1.73576e+06    3.47261e+05   -1.38850e+06    7.87470e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11653e+02   -2.13250e+02    2.96013e+01    3.46021e-06

           Step           Time
      248465000   496930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41393e+03    1.81962e+04    1.24408e+04    1.10766e+03   -2.81541e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56534e+03    1.04205e+05    2.80385e+05   -1.72404e+04   -2.15559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20815e+04   -1.73525e+06    3.46246e+05   -1.38900e+06    7.87871e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10742e+02   -2.13252e+02    2.72136e+00    3.45681e-06

           Step           Time
      248470000   496940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52640e+03    1.83460e+04    1.20986e+04    1.05679e+03   -2.82181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46908e+03    1.04057e+05    2.80373e+05   -1.72015e+04   -2.15391e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19106e+04   -1.73409e+06    3.45749e+05   -1.38834e+06    7.88095e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10296e+02   -2.12292e+02   -1.64800e+01    3.51584e-06

           Step           Time
      248475000   496950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42105e+03    1.85421e+04    1.23147e+04    1.13080e+03   -2.82493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60738e+03    1.04127e+05    2.81638e+05   -1.71602e+04   -2.15687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20925e+04   -1.73498e+06    3.44220e+05   -1.39076e+06    7.88605e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08924e+02   -2.11276e+02    2.29323e+01    3.48491e-06

           Step           Time
      248480000   496960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65201e+03    1.82367e+04    1.24849e+04    1.14492e+03   -2.79368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46033e+03    1.04330e+05    2.80345e+05   -1.71870e+04   -2.15432e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21250e+04   -1.73352e+06    3.48381e+05   -1.38514e+06    7.88354e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12658e+02   -2.11936e+02   -3.82120e+00    3.51213e-06

           Step           Time
      248485000   496970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45600e+03    1.81927e+04    1.25295e+04    1.14856e+03   -2.90508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43196e+03    1.04600e+05    2.80176e+05   -1.71853e+04   -2.15623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20775e+04   -1.73570e+06    3.47213e+05   -1.38849e+06    7.88711e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11611e+02   -2.11894e+02   -1.15004e+01    3.49478e-06

           Step           Time
      248490000   496980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42066e+03    1.83807e+04    1.24360e+04    1.09389e+03   -2.83297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48272e+03    1.04651e+05    2.81748e+05   -1.71771e+04   -2.15598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19531e+04   -1.73382e+06    3.46852e+05   -1.38697e+06    7.88892e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11286e+02   -2.11692e+02    8.05589e+01    3.33947e-06

           Step           Time
      248495000   496990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52289e+03    1.83743e+04    1.24699e+04    1.11334e+03   -2.84413e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40112e+03    1.04107e+05    2.79102e+05   -1.72258e+04   -2.15322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21763e+04   -1.73402e+06    3.47392e+05   -1.38663e+06    7.89500e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11771e+02   -2.12893e+02   -3.24191e+01    3.37747e-06

           Step           Time
      248500000   497000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45605e+03    1.79992e+04    1.25353e+04    1.10600e+03   -2.79221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41132e+03    1.04260e+05    2.80395e+05   -1.72052e+04   -2.15718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20151e+04   -1.73700e+06    3.47873e+05   -1.38913e+06    7.89632e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12202e+02   -2.12384e+02   -1.55565e+01    3.43583e-06

           Step           Time
      248505000   497010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52555e+03    1.79895e+04    1.24045e+04    1.13813e+03   -2.91660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51792e+03    1.04781e+05    2.80151e+05   -1.72100e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19278e+04   -1.73675e+06    3.45860e+05   -1.39089e+06    7.89786e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10396e+02   -2.12503e+02    1.05386e+00    3.53731e-06

           Step           Time
      248510000   497020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40863e+03    1.80555e+04    1.25693e+04    1.11072e+03   -2.93407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48842e+03    1.04822e+05    2.81166e+05   -1.72070e+04   -2.15656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22051e+04   -1.73487e+06    3.47877e+05   -1.38700e+06    7.89945e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12206e+02   -2.12427e+02    9.67251e+01    3.57101e-06

           Step           Time
      248515000   497030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63406e+03    1.78471e+04    1.24892e+04    9.75598e+02   -2.93725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41604e+03    1.04924e+05    2.79413e+05   -1.71975e+04   -2.15638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19376e+04   -1.73688e+06    3.44645e+05   -1.39224e+06    7.90525e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09305e+02   -2.12193e+02   -8.80415e+01    3.35441e-06

           Step           Time
      248520000   497040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60688e+03    1.78389e+04    1.24234e+04    1.07349e+03   -2.95450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65088e+03    1.04846e+05    2.80322e+05   -1.71852e+04   -2.15399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22080e+04   -1.73316e+06    3.47355e+05   -1.38580e+06    7.90609e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11737e+02   -2.11890e+02   -3.65165e+00    3.37175e-06

           Step           Time
      248525000   497050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65696e+03    1.79623e+04    1.25566e+04    1.15909e+03   -2.80985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54371e+03    1.04524e+05    2.80010e+05   -1.71835e+04   -2.15717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19972e+04   -1.73676e+06    3.46512e+05   -1.39024e+06    7.91532e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10981e+02   -2.11849e+02   -7.00481e+01    3.29179e-06

           Step           Time
      248530000   497060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45315e+03    1.82121e+04    1.24682e+04    1.14352e+03   -2.82012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67788e+03    1.04702e+05    2.79942e+05   -1.71798e+04   -2.15178e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21433e+04   -1.73104e+06    3.48740e+05   -1.38230e+06    7.91691e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12981e+02   -2.11757e+02    6.94916e+01    3.49535e-06

           Step           Time
      248535000   497070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58655e+03    1.84505e+04    1.23826e+04    1.06028e+03   -2.77787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36992e+03    1.04579e+05    2.81743e+05   -1.71998e+04   -2.15614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19905e+04   -1.73395e+06    3.47675e+05   -1.38628e+06    7.91588e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12025e+02   -2.12252e+02    2.36944e+01    3.29279e-06

           Step           Time
      248540000   497080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32702e+03    1.84343e+04    1.23769e+04    1.11706e+03   -2.82137e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56654e+03    1.04695e+05    2.82334e+05   -1.71714e+04   -2.15684e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18757e+04   -1.73411e+06    3.46690e+05   -1.38742e+06    7.92099e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11141e+02   -2.11552e+02    9.64823e+01    3.48710e-06

           Step           Time
      248545000   497090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60150e+03    1.79985e+04    1.23763e+04    1.01279e+03   -2.89430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55669e+03    1.04360e+05    2.80642e+05   -1.72341e+04   -2.15727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20620e+04   -1.73679e+06    3.47054e+05   -1.38973e+06    7.92206e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11468e+02   -2.13096e+02    3.79827e+01    3.46320e-06

           Step           Time
      248550000   497100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68057e+03    1.83260e+04    1.25726e+04    1.05959e+03   -2.90552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39004e+03    1.03894e+05    2.79593e+05   -1.71885e+04   -2.15270e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20264e+04   -1.73325e+06    3.46431e+05   -1.38682e+06    7.92408e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10908e+02   -2.11972e+02   -9.46919e+01    3.38523e-06

           Step           Time
      248555000   497110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60113e+03    1.85337e+04    1.25566e+04    1.09072e+03   -2.89527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54688e+03    1.03989e+05    2.82189e+05   -1.71845e+04   -2.15846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19212e+04   -1.73611e+06    3.46174e+05   -1.38993e+06    7.92888e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10678e+02   -2.11874e+02   -4.12825e+00    3.34271e-06

           Step           Time
      248560000   497120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72643e+03    1.82766e+04    1.23013e+04    1.08722e+03   -2.83937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51383e+03    1.04195e+05    2.80963e+05   -1.71790e+04   -2.15662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19490e+04   -1.73562e+06    3.47205e+05   -1.38842e+06    7.92922e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11603e+02   -2.11739e+02   -4.37083e-01    3.39971e-06

           Step           Time
      248565000   497130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46527e+03    1.84424e+04    1.23593e+04    9.70685e+02   -2.84186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52438e+03    1.04054e+05    2.80463e+05   -1.71349e+04   -2.15572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19859e+04   -1.73544e+06    3.45113e+05   -1.39032e+06    7.93422e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09726e+02   -2.10653e+02   -1.25981e+02    3.25161e-06

           Step           Time
      248570000   497140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78111e+03    1.81654e+04    1.26102e+04    1.11703e+03   -2.93262e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39967e+03    1.04215e+05    2.81735e+05   -1.72225e+04   -2.15738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19708e+04   -1.73554e+06    3.49057e+05   -1.38648e+06    7.93600e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13265e+02   -2.12811e+02    5.35747e+01    3.40904e-06

           Step           Time
      248575000   497150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58469e+03    1.77690e+04    1.24571e+04    1.02317e+03   -2.80674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41788e+03    1.04533e+05    2.81939e+05   -1.71883e+04   -2.15626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20363e+04   -1.73450e+06    3.46265e+05   -1.38823e+06    7.93712e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10759e+02   -2.11968e+02    1.29582e+01    3.34827e-06

           Step           Time
      248580000   497160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59322e+03    1.82365e+04    1.23593e+04    1.09618e+03   -2.91804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46222e+03    1.04369e+05    2.80060e+05   -1.71886e+04   -2.15582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20492e+04   -1.73570e+06    3.47296e+05   -1.38841e+06    7.94639e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11684e+02   -2.11974e+02   -4.97892e+01    3.43759e-06

           Step           Time
      248585000   497170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58447e+03    1.81949e+04    1.25039e+04    1.07619e+03   -2.92819e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58329e+03    1.04362e+05    2.81969e+05   -1.71853e+04   -2.15683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20678e+04   -1.73460e+06    3.47190e+05   -1.38741e+06    7.94874e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11590e+02   -2.11892e+02    2.18002e+01    3.44376e-06

           Step           Time
      248590000   497180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24046e+03    1.81441e+04    1.23231e+04    1.16360e+03   -2.85389e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52825e+03    1.04669e+05    2.81770e+05   -1.72243e+04   -2.15919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19755e+04   -1.73746e+06    3.46281e+05   -1.39117e+06    7.94568e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10774e+02   -2.12855e+02    7.43598e+01    3.44954e-06

           Step           Time
      248595000   497190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33218e+03    1.83159e+04    1.23587e+04    9.83780e+02   -2.84784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49512e+03    1.04735e+05    2.80825e+05   -1.72187e+04   -2.15693e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19764e+04   -1.73597e+06    3.44813e+05   -1.39116e+06    7.95064e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09456e+02   -2.12717e+02    3.63195e+01    3.33522e-06

           Step           Time
      248600000   497200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71350e+03    1.80705e+04    1.23117e+04    1.05232e+03   -2.88783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44166e+03    1.03785e+05    2.79166e+05   -1.72197e+04   -2.15456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18899e+04   -1.73623e+06    3.47040e+05   -1.38919e+06    7.95190e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11455e+02   -2.12742e+02   -1.27637e+01    3.45077e-06

           Step           Time
      248605000   497210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61953e+03    1.83497e+04    1.25028e+04    1.08815e+03   -2.90232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52894e+03    1.03879e+05    2.83440e+05   -1.72339e+04   -2.16039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19852e+04   -1.73714e+06    3.45982e+05   -1.39115e+06    7.96322e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10505e+02   -2.13092e+02    5.07915e+01    3.44907e-06

           Step           Time
      248610000   497220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43542e+03    1.85272e+04    1.23364e+04    1.06719e+03   -2.99687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49395e+03    1.04268e+05    2.79974e+05   -1.71643e+04   -2.15456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20079e+04   -1.73461e+06    3.45864e+05   -1.38875e+06    7.95955e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10400e+02   -2.11376e+02   -1.29440e+01    3.49050e-06

           Step           Time
      248615000   497230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81888e+03    1.85444e+04    1.22648e+04    1.03606e+03   -2.76865e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50234e+03    1.04363e+05    2.80080e+05   -1.72120e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20167e+04   -1.73455e+06    3.47594e+05   -1.38696e+06    7.96166e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11952e+02   -2.12551e+02   -3.01964e+01    3.40239e-06

           Step           Time
      248620000   497240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65903e+03    1.81509e+04    1.24259e+04    1.10158e+03   -2.92487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51288e+03    1.04307e+05    2.79776e+05   -1.72223e+04   -2.15501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19634e+04   -1.73526e+06    3.48870e+05   -1.38639e+06    7.96032e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13098e+02   -2.12806e+02   -6.20919e+01    3.57877e-06

           Step           Time
      248625000   497250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68584e+03    1.81485e+04    1.22314e+04    1.01503e+03   -2.81959e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51171e+03    1.04208e+05    2.81396e+05   -1.72252e+04   -2.15591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19189e+04   -1.73484e+06    3.46184e+05   -1.38866e+06    7.96886e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10687e+02   -2.12877e+02    8.00656e+01    3.44523e-06

           Step           Time
      248630000   497260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57154e+03    1.80581e+04    1.21971e+04    1.02781e+03   -2.73660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53171e+03    1.04300e+05    2.79713e+05   -1.71687e+04   -2.15600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19524e+04   -1.73656e+06    3.46972e+05   -1.38959e+06    7.96805e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11393e+02   -2.11484e+02   -1.53885e+02    3.27445e-06

           Step           Time
      248635000   497270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59494e+03    1.81851e+04    1.22698e+04    1.06337e+03   -2.85412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55810e+03    1.04229e+05    2.78992e+05   -1.71444e+04   -2.15186e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21635e+04   -1.73281e+06    3.47095e+05   -1.38571e+06    7.97276e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11505e+02   -2.10887e+02   -9.56088e+01    3.46607e-06

           Step           Time
      248640000   497280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42820e+03    1.80632e+04    1.24002e+04    1.10114e+03   -2.83316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46481e+03    1.04459e+05    2.80626e+05   -1.71748e+04   -2.15550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21507e+04   -1.73482e+06    3.45957e+05   -1.38886e+06    7.97475e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10483e+02   -2.11634e+02    4.39216e+01    3.37273e-06

           Step           Time
      248645000   497290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46939e+03    1.84469e+04    1.23798e+04    1.15828e+03   -2.95934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45651e+03    1.03912e+05    2.80279e+05   -1.71869e+04   -2.15596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20040e+04   -1.73600e+06    3.46649e+05   -1.38935e+06    7.97778e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11104e+02   -2.11934e+02   -6.57855e+01    3.32183e-06

           Step           Time
      248650000   497300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46321e+03    1.82565e+04    1.24428e+04    1.15897e+03   -2.97361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57784e+03    1.04332e+05    2.80064e+05   -1.71352e+04   -2.15356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21203e+04   -1.73325e+06    3.46824e+05   -1.38643e+06    7.98128e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11261e+02   -2.10660e+02   -4.82220e+01    3.40614e-06

           Step           Time
      248655000   497310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42684e+03    1.80758e+04    1.24956e+04    1.15778e+03   -2.93733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45970e+03    1.04159e+05    2.80138e+05   -1.71634e+04   -2.15689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19587e+04   -1.73712e+06    3.46427e+05   -1.39069e+06    7.98466e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10905e+02   -2.11355e+02   -9.15480e+01    3.27250e-06

           Step           Time
      248660000   497320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46992e+03    1.82027e+04    1.21841e+04    1.01471e+03   -2.92763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48411e+03    1.04321e+05    2.81647e+05   -1.71522e+04   -2.15626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20281e+04   -1.73499e+06    3.48883e+05   -1.38611e+06    7.98742e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13109e+02   -2.11078e+02    6.08330e+01    3.51608e-06

           Step           Time
      248665000   497330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69961e+03    1.82826e+04    1.22430e+04    1.06215e+03   -2.97084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42780e+03    1.03677e+05    2.81289e+05   -1.71967e+04   -2.15716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19721e+04   -1.73668e+06    3.45730e+05   -1.39095e+06    7.99326e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10279e+02   -2.12174e+02   -3.43262e+01    3.30237e-06

           Step           Time
      248670000   497340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61396e+03    1.83614e+04    1.22652e+04    1.16337e+03   -2.86532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56521e+03    1.03957e+05    2.79322e+05   -1.71919e+04   -2.15245e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19907e+04   -1.73326e+06    3.46070e+05   -1.38719e+06    7.99626e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10584e+02   -2.12056e+02    3.61273e+00    3.45828e-06

           Step           Time
      248675000   497350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55755e+03    1.82534e+04    1.23131e+04    1.00303e+03   -2.85456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58064e+03    1.04257e+05    2.82217e+05   -1.71943e+04   -2.15690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19228e+04   -1.73484e+06    3.46571e+05   -1.38827e+06    7.99648e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11034e+02   -2.12116e+02    9.99675e+01    3.40079e-06

           Step           Time
      248680000   497360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35138e+03    1.79888e+04    1.22789e+04    1.06201e+03   -2.84706e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57507e+03    1.04177e+05    2.80574e+05   -1.71775e+04   -2.15588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19159e+04   -1.73598e+06    3.46001e+05   -1.38998e+06    7.99822e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10522e+02   -2.11701e+02   -1.01907e+01    3.42203e-06

           Step           Time
      248685000   497370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58912e+03    1.81062e+04    1.24418e+04    1.09800e+03   -2.93715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54659e+03    1.03842e+05    2.79999e+05   -1.71423e+04   -2.15425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20245e+04   -1.73468e+06    3.47347e+05   -1.38733e+06    8.00032e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11731e+02   -2.10836e+02   -2.82546e+01    3.49295e-06

           Step           Time
      248690000   497380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58186e+03    1.81319e+04    1.23728e+04    1.12054e+03   -2.85475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53030e+03    1.03973e+05    2.78783e+05   -1.71719e+04   -2.15261e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19606e+04   -1.73418e+06    3.47267e+05   -1.38692e+06    8.00241e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11659e+02   -2.11563e+02   -9.60327e+01    3.26275e-06

           Step           Time
      248695000   497390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41073e+03    1.74489e+04    1.23848e+04    1.08300e+03   -2.88946e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64145e+03    1.04739e+05    2.83070e+05   -1.72054e+04   -2.15901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19557e+04   -1.73637e+06    3.45894e+05   -1.39048e+06    8.00426e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10427e+02   -2.12389e+02    9.15931e+01    3.26142e-06

           Step           Time
      248700000   497400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69089e+03    1.81679e+04    1.23445e+04    1.04508e+03   -2.99824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52655e+03    1.04031e+05    2.81340e+05   -1.71677e+04   -2.15501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20893e+04   -1.73394e+06    3.45274e+05   -1.38866e+06    8.00942e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09870e+02   -2.11459e+02    1.16979e+01    3.40809e-06

           Step           Time
      248705000   497410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50092e+03    1.86519e+04    1.22134e+04    1.07868e+03   -2.86122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46906e+03    1.03667e+05    2.82162e+05   -1.71956e+04   -2.15714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19614e+04   -1.73550e+06    3.47468e+05   -1.38803e+06    8.01055e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11839e+02   -2.12148e+02    1.03421e+01    3.45371e-06

           Step           Time
      248710000   497420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45444e+03    1.81399e+04    1.24161e+04    1.07235e+03   -2.83806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56790e+03    1.03999e+05    2.79213e+05   -1.72016e+04   -2.15243e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20750e+04   -1.73353e+06    3.46987e+05   -1.38654e+06    8.01312e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11408e+02   -2.12294e+02    4.12725e+01    3.35556e-06

           Step           Time
      248715000   497430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63809e+03    1.84317e+04    1.25839e+04    1.08416e+03   -2.84273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35614e+03    1.03783e+05    2.80132e+05   -1.71903e+04   -2.15329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19965e+04   -1.73332e+06    3.46273e+05   -1.38705e+06    8.02080e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10767e+02   -2.12016e+02   -3.81481e+01    3.44704e-06

           Step           Time
      248720000   497440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42613e+03    1.82340e+04    1.24595e+04    1.01678e+03   -2.90649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50699e+03    1.03975e+05    2.80593e+05   -1.71586e+04   -2.15709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19551e+04   -1.73699e+06    3.45582e+05   -1.39141e+06    8.02329e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10147e+02   -2.11236e+02   -1.20587e+02    3.35873e-06

           Step           Time
      248725000   497450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54223e+03    1.80661e+04    1.24123e+04    1.00370e+03   -2.97736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43786e+03    1.03878e+05    2.81300e+05   -1.72186e+04   -2.15662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20215e+04   -1.73616e+06    3.47711e+05   -1.38845e+06    8.02338e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12057e+02   -2.12715e+02    2.73740e+01    3.42963e-06

           Step           Time
      248730000   497460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56998e+03    1.81088e+04    1.25598e+04    1.00366e+03   -3.06418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58917e+03    1.03687e+05    2.80569e+05   -1.72433e+04   -2.15646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20469e+04   -1.73663e+06    3.47218e+05   -1.38941e+06    8.02734e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11615e+02   -2.13324e+02    4.92613e+01    3.31813e-06

           Step           Time
      248735000   497470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61541e+03    1.79952e+04    1.25462e+04    1.11458e+03   -2.96516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53238e+03    1.04330e+05    2.81313e+05   -1.71698e+04   -2.15648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19795e+04   -1.73518e+06    3.47432e+05   -1.38775e+06    8.02936e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11807e+02   -2.11511e+02    2.99300e+01    3.24666e-06

           Step           Time
      248740000   497480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59888e+03    1.80214e+04    1.24336e+04    1.03453e+03   -2.91289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42445e+03    1.04146e+05    2.80051e+05   -1.72167e+04   -2.15629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19380e+04   -1.73677e+06    3.44635e+05   -1.39213e+06    8.03770e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09297e+02   -2.12668e+02   -7.24525e+01    3.36950e-06

           Step           Time
      248745000   497490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33980e+03    1.80673e+04    1.23998e+04    1.10888e+03   -2.98856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53607e+03    1.04486e+05    2.79643e+05   -1.71693e+04   -2.15404e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21822e+04   -1.73443e+06    3.46602e+05   -1.38783e+06    8.03320e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11061e+02   -2.11498e+02   -5.37646e+01    3.45394e-06

           Step           Time
      248750000   497500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54026e+03    1.84106e+04    1.22749e+04    1.10408e+03   -2.86698e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48806e+03    1.04418e+05    2.76669e+05   -1.71631e+04   -2.15004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19916e+04   -1.73317e+06    3.46208e+05   -1.38697e+06    8.04328e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10708e+02   -2.11347e+02   -1.82262e+02    3.32663e-06

           Step           Time
      248755000   497510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39362e+03    1.83493e+04    1.22761e+04    1.11413e+03   -2.78034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63231e+03    1.03672e+05    2.81700e+05   -1.71942e+04   -2.15649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20785e+04   -1.73525e+06    3.46589e+05   -1.38866e+06    8.03899e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11050e+02   -2.12113e+02    1.42955e+01    3.32176e-06

           Step           Time
      248760000   497520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57731e+03    1.84599e+04    1.22740e+04    1.05502e+03   -2.86430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52996e+03    1.04431e+05    2.79016e+05   -1.71353e+04   -2.15467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21508e+04   -1.73517e+06    3.46135e+05   -1.38904e+06    8.04575e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10643e+02   -2.10662e+02   -7.47745e+01    3.34175e-06

           Step           Time
      248765000   497530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.16073e+03    1.82619e+04    1.25163e+04    9.98663e+02   -2.78844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54632e+03    1.04304e+05    2.80488e+05   -1.72147e+04   -2.15677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20631e+04   -1.73643e+06    3.45911e+05   -1.39052e+06    8.04689e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10442e+02   -2.12617e+02    5.36882e+01    3.24694e-06

           Step           Time
      248770000   497540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51551e+03    1.79926e+04    1.24242e+04    1.03715e+03   -2.88652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50008e+03    1.04384e+05    2.82038e+05   -1.72105e+04   -2.15661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19620e+04   -1.73486e+06    3.48185e+05   -1.38667e+06    8.04741e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12482e+02   -2.12515e+02    6.11278e+01    3.24197e-06

           Step           Time
      248775000   497550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51947e+03    1.80108e+04    1.22902e+04    1.05045e+03   -2.92731e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49029e+03    1.04168e+05    2.81404e+05   -1.72168e+04   -2.15892e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19717e+04   -1.73816e+06    3.46465e+05   -1.39170e+06    8.05285e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10939e+02   -2.12671e+02    3.27239e+01    3.57464e-06

           Step           Time
      248780000   497560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40839e+03    1.80249e+04    1.25512e+04    1.15546e+03   -2.93904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43759e+03    1.03917e+05    2.79208e+05   -1.71734e+04   -2.15191e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19304e+04   -1.73339e+06    3.46034e+05   -1.38736e+06    8.05011e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10552e+02   -2.11601e+02   -4.64718e+01    3.39001e-06

           Step           Time
      248785000   497570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50956e+03    1.77871e+04    1.24171e+04    1.06971e+03   -2.82184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51556e+03    1.04488e+05    2.82179e+05   -1.71837e+04   -2.15623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22743e+04   -1.73400e+06    3.46263e+05   -1.38774e+06    8.05608e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10757e+02   -2.11854e+02    4.75585e+01    3.29775e-06

           Step           Time
      248790000   497580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56860e+03    1.79924e+04    1.23584e+04    1.08499e+03   -2.92454e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45626e+03    1.04468e+05    2.80657e+05   -1.71768e+04   -2.15676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20856e+04   -1.73619e+06    3.44752e+05   -1.39143e+06    8.05776e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09402e+02   -2.11684e+02   -6.47630e+01    3.16839e-06

           Step           Time
      248795000   497590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41675e+03    1.83835e+04    1.23050e+04    1.05318e+03   -3.01438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45766e+03    1.04184e+05    2.82945e+05   -1.71953e+04   -2.16073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18467e+04   -1.73835e+06    3.47769e+05   -1.39058e+06    8.05902e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12109e+02   -2.12138e+02    9.43717e+01    3.31176e-06

           Step           Time
      248800000   497600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72401e+03    1.83230e+04    1.24202e+04    1.08539e+03   -3.02102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46405e+03    1.03904e+05    2.81420e+05   -1.71745e+04   -2.15611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19922e+04   -1.73497e+06    3.46401e+05   -1.38857e+06    8.06278e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10881e+02   -2.11627e+02   -3.30034e+01    3.42213e-06

           Step           Time
      248805000   497610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55027e+03    1.83856e+04    1.22174e+04    1.06992e+03   -2.90547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45180e+03    1.04085e+05    2.81441e+05   -1.72165e+04   -2.15602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19020e+04   -1.73504e+06    3.46949e+05   -1.38809e+06    8.06226e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11373e+02   -2.12661e+02    1.57706e+01    3.52390e-06

           Step           Time
      248810000   497620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79513e+03    1.82012e+04    1.22708e+04    1.00415e+03   -2.92023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47549e+03    1.04414e+05    2.82471e+05   -1.72233e+04   -2.15877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18920e+04   -1.73639e+06    3.46686e+05   -1.38970e+06    8.06429e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11138e+02   -2.12830e+02    8.08290e+01    3.28928e-06

           Step           Time
      248815000   497630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61558e+03    1.79996e+04    1.23836e+04    1.03663e+03   -2.90281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40966e+03    1.04091e+05    2.82409e+05   -1.71816e+04   -2.15796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20540e+04   -1.73605e+06    3.44826e+05   -1.39122e+06    8.07070e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09468e+02   -2.11801e+02    1.56307e+01    3.32740e-06

           Step           Time
      248820000   497640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44485e+03    1.82182e+04    1.24546e+04    1.11793e+03   -3.02335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46479e+03    1.03761e+05    2.80258e+05   -1.71798e+04   -2.15491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19319e+04   -1.73546e+06    3.46414e+05   -1.38905e+06    8.07082e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10893e+02   -2.11759e+02   -1.27742e+01    3.24318e-06

           Step           Time
      248825000   497650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40212e+03    1.82096e+04    1.21929e+04    1.13803e+03   -2.94673e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60930e+03    1.04611e+05    2.79710e+05   -1.72045e+04   -2.15459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18863e+04   -1.73498e+06    3.46165e+05   -1.38882e+06    8.07444e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10669e+02   -2.12367e+02   -9.69088e+00    3.12587e-06

           Step           Time
      248830000   497660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64224e+03    1.82719e+04    1.23052e+04    1.02202e+03   -2.88909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47355e+03    1.04110e+05    2.80404e+05   -1.71696e+04   -2.15256e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20700e+04   -1.73232e+06    3.45732e+05   -1.38658e+06    8.07730e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10281e+02   -2.11508e+02    2.56073e+01    3.48633e-06

           Step           Time
      248835000   497670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42295e+03    1.78688e+04    1.23937e+04    1.11440e+03   -2.96357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63870e+03    1.04448e+05    2.82105e+05   -1.72388e+04   -2.15771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19688e+04   -1.73595e+06    3.48301e+05   -1.38765e+06    8.07739e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12586e+02   -2.13214e+02    1.75173e+02    3.26185e-06

           Step           Time
      248840000   497680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51700e+03    1.86657e+04    1.23878e+04    1.08421e+03   -2.90255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50457e+03    1.03703e+05    2.81114e+05   -1.71892e+04   -2.15476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18672e+04   -1.73401e+06    3.47796e+05   -1.38622e+06    8.08352e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12133e+02   -2.11989e+02    1.67789e+01    3.30306e-06

           Step           Time
      248845000   497690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46027e+03    1.80658e+04    1.23915e+04    1.10221e+03   -2.81344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59006e+03    1.04250e+05    2.79933e+05   -1.71483e+04   -2.15386e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20009e+04   -1.73403e+06    3.46680e+05   -1.38735e+06    8.08168e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11132e+02   -2.10982e+02    1.19211e+01    3.35476e-06

           Step           Time
      248850000   497700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48348e+03    1.78917e+04    1.26707e+04    1.13582e+03   -2.94320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41818e+03    1.04016e+05    2.81815e+05   -1.71893e+04   -2.15657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19395e+04   -1.73534e+06    3.45625e+05   -1.38971e+06    8.08474e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10185e+02   -2.11993e+02    2.10223e+01    3.37260e-06

           Step           Time
      248855000   497710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47192e+03    1.79324e+04    1.24615e+04    1.09753e+03   -2.89371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64323e+03    1.04165e+05    2.78536e+05   -1.71897e+04   -2.15358e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21864e+04   -1.73517e+06    3.46255e+05   -1.38891e+06    8.09139e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10750e+02   -2.12001e+02   -9.53257e+01    3.19019e-06

           Step           Time
      248860000   497720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76632e+03    1.79793e+04    1.23051e+04    1.11105e+03   -2.93306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53098e+03    1.04084e+05    2.80391e+05   -1.71756e+04   -2.15311e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20769e+04   -1.73297e+06    3.47430e+05   -1.38554e+06    8.09201e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11805e+02   -2.11655e+02    2.63653e+00    3.36746e-06

           Step           Time
      248865000   497730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62988e+03    1.84532e+04    1.24299e+04    1.02198e+03   -2.86277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43966e+03    1.03305e+05    2.77601e+05   -1.71744e+04   -2.14981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21211e+04   -1.73285e+06    3.45130e+05   -1.38772e+06    8.09659e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09741e+02   -2.11624e+02   -1.34124e+02    3.26698e-06

Writing checkpoint, step 248866600 at Sat Dec  2 04:23:07 2023


           Step           Time
      248870000   497740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44559e+03    1.82408e+04    1.21957e+04    1.06226e+03   -2.89309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55283e+03    1.04102e+05    2.81279e+05   -1.71974e+04   -2.15641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20311e+04   -1.73559e+06    3.46577e+05   -1.38902e+06    8.09850e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11039e+02   -2.12190e+02    2.69046e+01    3.31104e-06

           Step           Time
      248875000   497750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49004e+03    1.83170e+04    1.22803e+04    1.01428e+03   -2.74278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46697e+03    1.04127e+05    2.81718e+05   -1.71972e+04   -2.15658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20868e+04   -1.73502e+06    3.47788e+05   -1.38723e+06    8.10021e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12127e+02   -2.12187e+02    5.69128e+01    3.31312e-06

           Step           Time
      248880000   497760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46311e+03    1.83723e+04    1.21771e+04    1.02772e+03   -2.82097e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54751e+03    1.04405e+05    2.80919e+05   -1.71632e+04   -2.15438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18949e+04   -1.73355e+06    3.46220e+05   -1.38733e+06    8.10100e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10719e+02   -2.11349e+02    3.45583e+01    3.56768e-06

           Step           Time
      248885000   497770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56223e+03    1.82772e+04    1.22039e+04    1.10150e+03   -2.87681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41743e+03    1.04452e+05    2.80443e+05   -1.71784e+04   -2.15559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19196e+04   -1.73527e+06    3.48739e+05   -1.38653e+06    8.10305e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12980e+02   -2.11724e+02   -4.81914e+01    3.51075e-06

           Step           Time
      248890000   497780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36686e+03    1.85453e+04    1.23489e+04    1.21911e+03   -2.83113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68172e+03    1.04650e+05    2.83549e+05   -1.72396e+04   -2.15862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17391e+04   -1.73459e+06    3.46271e+05   -1.38832e+06    8.11732e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10765e+02   -2.13232e+02    1.93567e+02    3.33776e-06

           Step           Time
      248895000   497790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32097e+03    1.82071e+04    1.24424e+04    1.06778e+03   -3.00031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46571e+03    1.04386e+05    2.78386e+05   -1.71573e+04   -2.15242e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20086e+04   -1.73429e+06    3.45621e+05   -1.38867e+06    8.11691e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10181e+02   -2.11203e+02   -7.14123e+01    3.24194e-06

           Step           Time
      248900000   497800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61325e+03    1.84742e+04    1.23334e+04    1.10201e+03   -2.81414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46160e+03    1.04306e+05    2.78608e+05   -1.71846e+04   -2.15074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20443e+04   -1.73180e+06    3.47901e+05   -1.38390e+06    8.11766e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12227e+02   -2.11875e+02    5.10975e+00    3.38109e-06

           Step           Time
      248905000   497810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43816e+03    1.83129e+04    1.25667e+04    1.10209e+03   -2.89476e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35910e+03    1.04614e+05    2.79206e+05   -1.71706e+04   -2.15419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19539e+04   -1.73470e+06    3.45614e+05   -1.38909e+06    8.11984e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10175e+02   -2.11531e+02   -7.58180e+01    3.35658e-06

           Step           Time
      248910000   497820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46006e+03    1.80270e+04    1.24755e+04    1.10260e+03   -2.80832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49611e+03    1.04550e+05    2.80417e+05   -1.71892e+04   -2.15585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20122e+04   -1.73531e+06    3.46036e+05   -1.38927e+06    8.12171e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10553e+02   -2.11989e+02   -3.74477e+01    3.18649e-06

           Step           Time
      248915000   497830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62764e+03    1.83979e+04    1.24136e+04    1.09056e+03   -2.95063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39498e+03    1.04241e+05    2.78295e+05   -1.71735e+04   -2.15381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19567e+04   -1.73552e+06    3.46049e+05   -1.38947e+06    8.12319e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10566e+02   -2.11604e+02   -1.30419e+02    3.25703e-06

           Step           Time
      248920000   497840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33293e+03    1.80466e+04    1.23298e+04    1.07989e+03   -2.84911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38849e+03    1.04507e+05    2.82795e+05   -1.71721e+04   -2.15790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21033e+04   -1.73534e+06    3.45650e+05   -1.38969e+06    8.12640e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10208e+02   -2.11568e+02    2.67720e+01    3.26590e-06

           Step           Time
      248925000   497850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78018e+03    1.82442e+04    1.23992e+04    1.04979e+03   -2.82908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36483e+03    1.03999e+05    2.79271e+05   -1.72282e+04   -2.15593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19060e+04   -1.73697e+06    3.47469e+05   -1.38950e+06    8.12810e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11840e+02   -2.12950e+02   -5.59237e+01    3.29414e-06

           Step           Time
      248930000   497860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42765e+03    1.77869e+04    1.22799e+04    1.13539e+03   -2.85696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43702e+03    1.04044e+05    2.84298e+05   -1.72152e+04   -2.16317e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17782e+04   -1.74006e+06    3.44773e+05   -1.39528e+06    8.13046e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09420e+02   -2.12631e+02    9.01980e+01    3.38615e-06

           Step           Time
      248935000   497870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52873e+03    1.81017e+04    1.23574e+04    1.14205e+03   -2.84478e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51142e+03    1.04325e+05    2.79441e+05   -1.72123e+04   -2.15363e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19404e+04   -1.73433e+06    3.46457e+05   -1.38788e+06    8.13084e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10932e+02   -2.12558e+02   -4.79444e+01    3.62091e-06

           Step           Time
      248940000   497880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44501e+03    1.80312e+04    1.22373e+04    1.15963e+03   -2.84982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61387e+03    1.04204e+05    2.79575e+05   -1.72289e+04   -2.15294e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20964e+04   -1.73365e+06    3.47041e+05   -1.38661e+06    8.13562e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11456e+02   -2.12968e+02    8.02393e+01    3.40528e-06

           Step           Time
      248945000   497890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49707e+03    1.80600e+04    1.21227e+04    1.04697e+03   -2.70852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46776e+03    1.04310e+05    2.81295e+05   -1.71886e+04   -2.15807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18640e+04   -1.73731e+06    3.45481e+05   -1.39183e+06    8.14078e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10056e+02   -2.11974e+02   -5.29807e+00    3.37161e-06

           Step           Time
      248950000   497900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33154e+03    1.83040e+04    1.22825e+04    1.06669e+03   -2.79234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52578e+03    1.04310e+05    2.80954e+05   -1.72032e+04   -2.15632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18851e+04   -1.73565e+06    3.45883e+05   -1.38977e+06    8.14076e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10417e+02   -2.12333e+02    2.91410e+01    3.39343e-06

           Step           Time
      248955000   497910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26977e+03    1.84389e+04    1.23040e+04    1.02185e+03   -2.85545e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44168e+03    1.04752e+05    2.80025e+05   -1.72025e+04   -2.15669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18341e+04   -1.73666e+06    3.46215e+05   -1.39045e+06    8.14354e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10715e+02   -2.12316e+02    3.95111e+00    3.24914e-06

           Step           Time
      248960000   497920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60247e+03    1.80904e+04    1.23337e+04    1.08726e+03   -2.85305e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44527e+03    1.04247e+05    2.80313e+05   -1.72110e+04   -2.15575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20727e+04   -1.73562e+06    3.44400e+05   -1.39122e+06    8.14980e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09086e+02   -2.12526e+02   -3.81538e+01    3.22418e-06

           Step           Time
      248965000   497930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52895e+03    1.80682e+04    1.22586e+04    1.06275e+03   -2.82869e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49638e+03    1.04457e+05    2.80599e+05   -1.72236e+04   -2.15606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17071e+04   -1.73594e+06    3.45822e+05   -1.39012e+06    8.14718e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10362e+02   -2.12838e+02    1.04901e+01    3.27295e-06

           Step           Time
      248970000   497940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33386e+03    1.87613e+04    1.21134e+04    1.17701e+03   -2.89243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46334e+03    1.04304e+05    2.82241e+05   -1.71858e+04   -2.15832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17260e+04   -1.73628e+06    3.49018e+05   -1.38726e+06    8.14770e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13230e+02   -2.11905e+02    6.75967e+01    3.41635e-06

           Step           Time
      248975000   497950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32969e+03    1.80137e+04    1.23798e+04    9.89819e+02   -2.89124e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51408e+03    1.04676e+05    2.81418e+05   -1.71917e+04   -2.15613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20492e+04   -1.73484e+06    3.45007e+05   -1.38983e+06    8.15618e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09631e+02   -2.12052e+02    1.81741e+01    3.40065e-06

           Step           Time
      248980000   497960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50386e+03    1.81158e+04    1.23629e+04    1.07897e+03   -2.90922e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44355e+03    1.04639e+05    2.78986e+05   -1.72080e+04   -2.15356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20451e+04   -1.73450e+06    3.45485e+05   -1.38901e+06    8.16044e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10059e+02   -2.12452e+02   -2.71344e+01    3.32700e-06

           Step           Time
      248985000   497970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55072e+03    1.80194e+04    1.23471e+04    1.02487e+03   -2.89467e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46414e+03    1.04577e+05    2.79133e+05   -1.71936e+04   -2.15347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19086e+04   -1.73453e+06    3.45207e+05   -1.38932e+06    8.16094e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09810e+02   -2.12097e+02   -4.45979e+01    3.41678e-06

           Step           Time
      248990000   497980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57837e+03    1.82824e+04    1.23464e+04    1.06544e+03   -2.84078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45860e+03    1.03982e+05    2.79147e+05   -1.71814e+04   -2.15197e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19240e+04   -1.73321e+06    3.46023e+05   -1.38718e+06    8.16436e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10543e+02   -2.11798e+02   -3.46578e+01    3.41855e-06

           Step           Time
      248995000   497990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84315e+03    1.80627e+04    1.21662e+04    1.08321e+03   -2.72703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41126e+03    1.03786e+05    2.79962e+05   -1.71769e+04   -2.15259e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20167e+04   -1.73316e+06    3.45109e+05   -1.38805e+06    8.17000e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09722e+02   -2.11686e+02   -8.42664e+01    3.30209e-06

           Step           Time
      249000000   498000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50247e+03    1.81903e+04    1.23292e+04    1.01987e+03   -2.75707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40533e+03    1.04143e+05    2.81888e+05   -1.71895e+04   -2.15820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21517e+04   -1.73651e+06    3.47452e+05   -1.38906e+06    8.16932e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11825e+02   -2.11998e+02   -1.23499e+01    3.34056e-06

           Step           Time
      249005000   498010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49026e+03    1.85575e+04    1.22792e+04    1.09481e+03   -2.77757e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43875e+03    1.04151e+05    2.80357e+05   -1.72014e+04   -2.15331e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18428e+04   -1.73308e+06    3.46386e+05   -1.38669e+06    8.17175e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10868e+02   -2.12291e+02   -4.01739e+00    3.42084e-06

           Step           Time
      249010000   498020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56665e+03    1.80229e+04    1.22599e+04    1.03123e+03   -2.78172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42833e+03    1.04278e+05    2.79916e+05   -1.71589e+04   -2.15372e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20198e+04   -1.73414e+06    3.45420e+05   -1.38872e+06    8.17328e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10001e+02   -2.11242e+02   -8.46527e+01    3.33938e-06

           Step           Time
      249015000   498030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51250e+03    1.82330e+04    1.23543e+04    1.06957e+03   -2.84375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51653e+03    1.04313e+05    2.81390e+05   -1.71937e+04   -2.15778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21259e+04   -1.73631e+06    3.45964e+05   -1.39034e+06    8.17984e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10490e+02   -2.12100e+02   -2.11645e+01    3.33805e-06

           Step           Time
      249020000   498040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50530e+03    1.78605e+04    1.24095e+04    1.09477e+03   -2.85867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42959e+03    1.04374e+05    2.81640e+05   -1.71798e+04   -2.15838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20023e+04   -1.73711e+06    3.48263e+05   -1.38884e+06    8.17686e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12553e+02   -2.11758e+02   -3.80034e+01    3.38374e-06

           Step           Time
      249025000   498050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57172e+03    1.82502e+04    1.22278e+04    1.10950e+03   -2.78211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51758e+03    1.04093e+05    2.80789e+05   -1.71940e+04   -2.15496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20121e+04   -1.73436e+06    3.46630e+05   -1.38774e+06    8.18590e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11087e+02   -2.12108e+02   -3.45367e+01    3.27065e-06

           Step           Time
      249030000   498060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38684e+03    1.82346e+04    1.23153e+04    1.01664e+03   -2.85684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39821e+03    1.03808e+05    2.82586e+05   -1.71892e+04   -2.15648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20103e+04   -1.73477e+06    3.48114e+05   -1.38666e+06    8.18638e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12419e+02   -2.11989e+02    9.09005e+01    3.24233e-06

           Step           Time
      249035000   498070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40056e+03    1.77992e+04    1.23075e+04    1.03204e+03   -2.80205e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52025e+03    1.04314e+05    2.79610e+05   -1.71757e+04   -2.15397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19424e+04   -1.73502e+06    3.45681e+05   -1.38934e+06    8.18641e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10235e+02   -2.11656e+02   -8.01308e+01    3.40680e-06

           Step           Time
      249040000   498080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69349e+03    1.83492e+04    1.23817e+04    1.08642e+03   -2.84343e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45602e+03    1.03855e+05    2.79069e+05   -1.71897e+04   -2.15284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19733e+04   -1.73401e+06    3.45780e+05   -1.38823e+06    8.19225e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10324e+02   -2.12001e+02   -1.12478e+02    3.18754e-06

           Step           Time
      249045000   498090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33014e+03    1.83490e+04    1.24153e+04    1.06581e+03   -2.89429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61546e+03    1.04153e+05    2.82820e+05   -1.72164e+04   -2.15909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19709e+04   -1.73648e+06    3.47809e+05   -1.38868e+06    8.19386e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12145e+02   -2.12661e+02    1.24057e+02    3.43446e-06

           Step           Time
      249050000   498100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42026e+03    1.80240e+04    1.23542e+04    1.10804e+03   -2.85256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41639e+03    1.04209e+05    2.81758e+05   -1.72346e+04   -2.15769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18904e+04   -1.73660e+06    3.45895e+05   -1.39070e+06    8.20152e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10428e+02   -2.13109e+02    4.83555e+01    3.37960e-06

           Step           Time
      249055000   498110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45568e+03    1.83057e+04    1.24228e+04    1.08394e+03   -2.90059e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47912e+03    1.04373e+05    2.79120e+05   -1.72008e+04   -2.15225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20111e+04   -1.73310e+06    3.46353e+05   -1.38675e+06    8.20192e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10838e+02   -2.12274e+02   -3.42447e+01    3.40774e-06

           Step           Time
      249060000   498120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88465e+03    1.85105e+04    1.22992e+04    9.96654e+02   -2.89848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51869e+03    1.03842e+05    2.79681e+05   -1.71933e+04   -2.15460e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19910e+04   -1.73497e+06    3.47830e+05   -1.38714e+06    8.20604e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12164e+02   -2.12091e+02   -5.58078e+01    3.50839e-06

           Step           Time
      249065000   498130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67009e+03    1.84161e+04    1.22737e+04    1.00029e+03   -2.92737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55584e+03    1.04152e+05    2.81585e+05   -1.71870e+04   -2.15448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19950e+04   -1.73295e+06    3.45648e+05   -1.38730e+06    8.20864e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10206e+02   -2.11936e+02    1.29063e+02    3.37273e-06

           Step           Time
      249070000   498140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52108e+03    1.84261e+04    1.23782e+04    1.05911e+03   -2.91491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51636e+03    1.04132e+05    2.79980e+05   -1.71971e+04   -2.15440e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17846e+04   -1.73471e+06    3.44662e+05   -1.39005e+06    8.21442e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09321e+02   -2.12184e+02    6.37533e+00    3.31762e-06

           Step           Time
      249075000   498150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36996e+03    1.83178e+04    1.23991e+04    9.92373e+02   -2.90176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55989e+03    1.04478e+05    2.81302e+05   -1.71956e+04   -2.15745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21214e+04   -1.73601e+06    3.46739e+05   -1.38927e+06    8.21171e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11185e+02   -2.12148e+02    4.58238e+01    3.37800e-06

           Step           Time
      249080000   498160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61890e+03    1.84076e+04    1.23411e+04    1.05782e+03   -2.93127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54698e+03    1.04213e+05    2.81600e+05   -1.71962e+04   -2.15713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21662e+04   -1.73531e+06    3.47786e+05   -1.38752e+06    8.21896e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12124e+02   -2.12161e+02    5.14459e+01    3.56018e-06

           Step           Time
      249085000   498170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55525e+03    1.83810e+04    1.24407e+04    1.10688e+03   -2.82621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59628e+03    1.04040e+05    2.82472e+05   -1.71718e+04   -2.15568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21778e+04   -1.73291e+06    3.47143e+05   -1.38577e+06    8.22088e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11547e+02   -2.11561e+02    8.22893e+01    3.47431e-06

           Step           Time
      249090000   498180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54159e+03    1.83634e+04    1.23534e+04    1.08514e+03   -2.84063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39869e+03    1.04377e+05    2.80579e+05   -1.71983e+04   -2.15568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21926e+04   -1.73482e+06    3.46194e+05   -1.38863e+06    8.22354e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10696e+02   -2.12215e+02    2.28563e+00    3.30613e-06

           Step           Time
      249095000   498190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51905e+03    1.84299e+04    1.25012e+04    1.12114e+03   -2.87854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46793e+03    1.03689e+05    2.79567e+05   -1.71946e+04   -2.14976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19292e+04   -1.73061e+06    3.46660e+05   -1.38395e+06    8.22518e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11114e+02   -2.12123e+02    4.96644e+01    3.43477e-06

           Step           Time
      249100000   498200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36990e+03    1.85159e+04    1.23448e+04    1.09980e+03   -2.93823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43177e+03    1.04082e+05    2.81231e+05   -1.71941e+04   -2.15565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18883e+04   -1.73482e+06    3.46717e+05   -1.38810e+06    8.22779e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11165e+02   -2.12109e+02    7.78398e+01    3.28278e-06

           Step           Time
      249105000   498210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55114e+03    1.81743e+04    1.24317e+04    1.11575e+03   -2.88104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56416e+03    1.04134e+05    2.79788e+05   -1.71743e+04   -2.15397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20589e+04   -1.73421e+06    3.45985e+05   -1.38823e+06    8.22706e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10508e+02   -2.11623e+02   -6.84872e+01    3.48476e-06

           Step           Time
      249110000   498220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60296e+03    1.82595e+04    1.22165e+04    1.01661e+03   -2.83592e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56886e+03    1.04170e+05    2.79808e+05   -1.71884e+04   -2.15248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21928e+04   -1.73267e+06    3.46201e+05   -1.38647e+06    8.22836e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10702e+02   -2.11969e+02    1.31589e+01    3.25220e-06

           Step           Time
      249115000   498230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47323e+03    1.86583e+04    1.22860e+04    1.05287e+03   -2.97129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50650e+03    1.04016e+05    2.80690e+05   -1.71550e+04   -2.15524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21330e+04   -1.73455e+06    3.47680e+05   -1.38687e+06    8.23049e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12029e+02   -2.11148e+02    2.61847e+01    3.39166e-06

           Step           Time
      249120000   498240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32973e+03    1.82782e+04    1.24211e+04    1.04961e+03   -2.97648e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49278e+03    1.04092e+05    2.79983e+05   -1.72073e+04   -2.15463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19850e+04   -1.73519e+06    3.45344e+05   -1.38984e+06    8.23279e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09933e+02   -2.12435e+02   -1.02817e+01    3.42855e-06

           Step           Time
      249125000   498250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50220e+03    1.85034e+04    1.23519e+04    1.03890e+03   -2.82259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50473e+03    1.04512e+05    2.83156e+05   -1.72067e+04   -2.15875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20234e+04   -1.73519e+06    3.47576e+05   -1.38761e+06    8.24021e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11936e+02   -2.12420e+02    1.20867e+02    3.38614e-06

           Step           Time
      249130000   498260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47873e+03    1.83947e+04    1.22312e+04    1.10096e+03   -2.88060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45197e+03    1.04574e+05    2.81775e+05   -1.72194e+04   -2.15787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19202e+04   -1.73605e+06    3.46428e+05   -1.38962e+06    8.23988e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10906e+02   -2.12733e+02    6.52788e+01    3.40916e-06

           Step           Time
      249135000   498270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47162e+03    1.83543e+04    1.23455e+04    1.13342e+03   -2.89988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37434e+03    1.04521e+05    2.81270e+05   -1.71829e+04   -2.15664e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20273e+04   -1.73522e+06    3.44861e+05   -1.39036e+06    8.24754e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09500e+02   -2.11834e+02   -3.46447e+01    3.31095e-06

           Step           Time
      249140000   498280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24387e+03    1.84774e+04    1.23963e+04    9.82422e+02   -2.89601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50671e+03    1.04316e+05    2.82453e+05   -1.71828e+04   -2.15924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20557e+04   -1.73688e+06    3.44541e+05   -1.39234e+06    8.24485e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09213e+02   -2.11833e+02    3.27371e+01    3.23964e-06

           Step           Time
      249145000   498290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44231e+03    1.83347e+04    1.22114e+04    1.02828e+03   -2.85199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50768e+03    1.03867e+05    2.83649e+05   -1.71675e+04   -2.15992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19190e+04   -1.73698e+06    3.47920e+05   -1.38906e+06    8.25106e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12244e+02   -2.11454e+02    9.35373e+01    3.34401e-06

           Step           Time
      249150000   498300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72715e+03    1.83172e+04    1.21906e+04    1.05135e+03   -2.91730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53668e+03    1.04192e+05    2.79436e+05   -1.71773e+04   -2.15446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20162e+04   -1.73509e+06    3.46913e+05   -1.38818e+06    8.25196e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11341e+02   -2.11697e+02   -3.99927e+01    3.52178e-06

           Step           Time
      249155000   498310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34708e+03    1.83977e+04    1.24242e+04    1.12726e+03   -2.88824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48927e+03    1.04602e+05    2.80162e+05   -1.71972e+04   -2.15388e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20370e+04   -1.73338e+06    3.45403e+05   -1.38798e+06    8.25584e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09986e+02   -2.12188e+02    4.63985e+01    3.15155e-06

           Step           Time
      249160000   498320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53544e+03    1.82311e+04    1.22603e+04    1.10894e+03   -2.90198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47777e+03    1.04200e+05    2.81825e+05   -1.72130e+04   -2.15858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17768e+04   -1.73728e+06    3.47611e+05   -1.38966e+06    8.25386e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11968e+02   -2.12575e+02    3.68598e+01    3.29341e-06

           Step           Time
      249165000   498330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43989e+03    1.78639e+04    1.22234e+04    1.06023e+03   -2.88741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63429e+03    1.04311e+05    2.81463e+05   -1.71676e+04   -2.15800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20784e+04   -1.73698e+06    3.46061e+05   -1.39092e+06    8.25375e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10576e+02   -2.11457e+02    7.03666e+00    3.25470e-06

           Step           Time
      249170000   498340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27628e+03    1.86531e+04    1.23236e+04    1.14962e+03   -2.91006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49346e+03    1.04378e+05    2.80743e+05   -1.72044e+04   -2.15522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20808e+04   -1.73423e+06    3.47070e+05   -1.38716e+06    8.26451e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11481e+02   -2.12363e+02    7.43458e+01    3.36005e-06

           Step           Time
      249175000   498350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42912e+03    1.77602e+04    1.20649e+04    9.89995e+02   -2.87867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63970e+03    1.04210e+05    2.80959e+05   -1.71437e+04   -2.15629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18706e+04   -1.73639e+06    3.46028e+05   -1.39036e+06    8.26295e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10546e+02   -2.10869e+02   -3.02534e+01    3.20741e-06

           Step           Time
      249180000   498360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48634e+03    1.84880e+04    1.21627e+04    1.07131e+03   -2.86396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51367e+03    1.03805e+05    2.79495e+05   -1.71988e+04   -2.15282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20113e+04   -1.73385e+06    3.48253e+05   -1.38560e+06    8.26636e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12543e+02   -2.12226e+02   -3.11995e+01    3.44731e-06

           Step           Time
      249185000   498370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35645e+03    1.81318e+04    1.22004e+04    1.14523e+03   -2.86575e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43121e+03    1.04373e+05    2.79634e+05   -1.71941e+04   -2.15492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21435e+04   -1.73556e+06    3.47556e+05   -1.38800e+06    8.26268e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11918e+02   -2.12110e+02   -6.04884e+01    3.44482e-06

           Step           Time
      249190000   498380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47550e+03    1.78926e+04    1.21626e+04    1.06785e+03   -2.82112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48275e+03    1.04275e+05    2.80334e+05   -1.71750e+04   -2.15618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19103e+04   -1.73658e+06    3.45503e+05   -1.39108e+06    8.27274e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10075e+02   -2.11640e+02   -7.70775e+01    3.17954e-06

           Step           Time
      249195000   498390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46347e+03    1.79155e+04    1.23238e+04    1.04497e+03   -2.85050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51371e+03    1.03989e+05    2.79148e+05   -1.71954e+04   -2.15216e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20194e+04   -1.73379e+06    3.46318e+05   -1.38747e+06    8.27495e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10807e+02   -2.12143e+02   -1.86909e+01    3.41796e-06

           Step           Time
      249200000   498400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41414e+03    1.81838e+04    1.22042e+04    1.00543e+03   -3.00783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53363e+03    1.04380e+05    2.82234e+05   -1.71612e+04   -2.15565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20384e+04   -1.73382e+06    3.46692e+05   -1.38713e+06    8.28002e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11143e+02   -2.11300e+02    6.97686e+01    3.45241e-06

           Step           Time
      249205000   498410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63301e+03    1.78491e+04    1.24269e+04    1.08784e+03   -2.90126e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52553e+03    1.03509e+05    2.82164e+05   -1.71808e+04   -2.15889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20164e+04   -1.73776e+06    3.47731e+05   -1.39003e+06    8.28571e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12075e+02   -2.11782e+02   -6.12672e+00    3.36399e-06

           Step           Time
      249210000   498420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73716e+03    1.80705e+04    1.23789e+04    9.93995e+02   -2.88484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44281e+03    1.04053e+05    2.79133e+05   -1.72186e+04   -2.15497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18970e+04   -1.73637e+06    3.46295e+05   -1.39008e+06    8.28914e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10786e+02   -2.12714e+02   -7.01590e+01    3.30267e-06

           Step           Time
      249215000   498430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45330e+03    1.83554e+04    1.22852e+04    1.01004e+03   -2.92580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60848e+03    1.03914e+05    2.81516e+05   -1.71748e+04   -2.15721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20960e+04   -1.73607e+06    3.46063e+05   -1.39001e+06    8.28848e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10578e+02   -2.11635e+02    7.07532e+00    3.36789e-06

           Step           Time
      249220000   498440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62329e+03    1.85207e+04    1.23392e+04    9.87874e+02   -2.74494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59709e+03    1.03949e+05    2.80606e+05   -1.71634e+04   -2.15388e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21646e+04   -1.73300e+06    3.46260e+05   -1.38674e+06    8.29645e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10754e+02   -2.11355e+02    1.58773e+01    3.20947e-06

           Step           Time
      249225000   498450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66223e+03    1.85036e+04    1.23553e+04    1.05029e+03   -2.89311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38496e+03    1.04199e+05    2.80222e+05   -1.71885e+04   -2.15366e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20123e+04   -1.73335e+06    3.47136e+05   -1.38621e+06    8.29168e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11541e+02   -2.11971e+02   -2.06776e+01    3.40783e-06

           Step           Time
      249230000   498460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44597e+03    1.82571e+04    1.21707e+04    1.16002e+03   -2.84173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50938e+03    1.03910e+05    2.80873e+05   -1.72068e+04   -2.15613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20888e+04   -1.73576e+06    3.46664e+05   -1.38909e+06    8.29776e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11118e+02   -2.12422e+02   -6.48365e-01    3.47561e-06

           Step           Time
      249235000   498470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52257e+03    1.81132e+04    1.23894e+04    1.16262e+03   -2.86907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49284e+03    1.03811e+05    2.79762e+05   -1.71532e+04   -2.15548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19371e+04   -1.73631e+06    3.45406e+05   -1.39090e+06    8.30156e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09989e+02   -2.11104e+02   -6.76057e+01    3.22363e-06

           Step           Time
      249240000   498480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57291e+03    1.81064e+04    1.23487e+04    1.14546e+03   -2.89049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61666e+03    1.04717e+05    2.80703e+05   -1.72121e+04   -2.15719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20961e+04   -1.73598e+06    3.46733e+05   -1.38925e+06    8.30312e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11179e+02   -2.12553e+02    1.41142e+01    3.46467e-06

           Step           Time
      249245000   498490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73927e+03    1.86334e+04    1.21648e+04    1.08677e+03   -2.72188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38405e+03    1.04140e+05    2.77060e+05   -1.71772e+04   -2.14925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21754e+04   -1.73176e+06    3.46256e+05   -1.38551e+06    8.30835e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10751e+02   -2.11695e+02   -1.63278e+02    3.19844e-06

           Step           Time
      249250000   498500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67939e+03    1.81933e+04    1.23609e+04    9.98470e+02   -2.81338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55478e+03    1.03731e+05    2.82868e+05   -1.71681e+04   -2.15640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20317e+04   -1.73396e+06    3.47676e+05   -1.38628e+06    8.30676e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12026e+02   -2.11469e+02    6.50678e+01    3.38744e-06

           Step           Time
      249255000   498510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70019e+03    1.82973e+04    1.22939e+04    1.08134e+03   -2.94084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60054e+03    1.04326e+05    2.79851e+05   -1.72129e+04   -2.15450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20970e+04   -1.73441e+06    3.46638e+05   -1.38777e+06    8.31401e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11094e+02   -2.12572e+02    3.88146e+01    3.37970e-06

           Step           Time
      249260000   498520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53456e+03    1.83177e+04    1.23276e+04    1.09181e+03   -2.87530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60055e+03    1.03935e+05    2.78121e+05   -1.71748e+04   -2.15280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20098e+04   -1.73491e+06    3.46864e+05   -1.38804e+06    8.31234e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11297e+02   -2.11635e+02   -6.08082e+01    3.33166e-06

           Step           Time
      249265000   498530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46396e+03    1.83640e+04    1.23478e+04    1.16043e+03   -2.81469e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46643e+03    1.04019e+05    2.78759e+05   -1.71536e+04   -2.15451e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20114e+04   -1.73588e+06    3.45618e+05   -1.39026e+06    8.31729e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10179e+02   -2.11114e+02   -1.39503e+02    3.61658e-06

           Step           Time
      249270000   498540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61067e+03    1.79665e+04    1.23367e+04    1.10677e+03   -2.74518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44077e+03    1.04245e+05    2.80467e+05   -1.72179e+04   -2.15679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18821e+04   -1.73670e+06    3.45597e+05   -1.39110e+06    8.31722e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10160e+02   -2.12698e+02   -2.08050e+01    3.36878e-06

           Step           Time
      249275000   498550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35457e+03    1.80932e+04    1.22605e+04    1.06328e+03   -2.90148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57112e+03    1.04494e+05    2.83082e+05   -1.71940e+04   -2.15893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20777e+04   -1.73603e+06    3.46389e+05   -1.38964e+06    8.32441e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10871e+02   -2.12108e+02    9.98042e+01    3.36786e-06

           Step           Time
      249280000   498560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61253e+03    1.81584e+04    1.25041e+04    1.17406e+03   -2.93544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48819e+03    1.04309e+05    2.81290e+05   -1.71815e+04   -2.15469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20763e+04   -1.73319e+06    3.45878e+05   -1.38731e+06    8.32270e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10412e+02   -2.11798e+02    1.49910e+01    3.41560e-06

           Step           Time
      249285000   498570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56047e+03    1.83106e+04    1.22673e+04    1.12009e+03   -2.79556e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62650e+03    1.03790e+05    2.79939e+05   -1.72299e+04   -2.15443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20135e+04   -1.73483e+06    3.46558e+05   -1.38827e+06    8.32855e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11022e+02   -2.12994e+02    6.10704e+01    3.24716e-06

           Step           Time
      249290000   498580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51585e+03    1.82735e+04    1.23346e+04    1.12274e+03   -2.93932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45136e+03    1.03922e+05    2.80954e+05   -1.72065e+04   -2.15580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20484e+04   -1.73532e+06    3.47285e+05   -1.38804e+06    8.33028e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11674e+02   -2.12416e+02    1.15151e+00    3.25498e-06

           Step           Time
      249295000   498590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45348e+03    1.78367e+04    1.24918e+04    1.12354e+03   -2.83067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57227e+03    1.04470e+05    2.80494e+05   -1.71591e+04   -2.15805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20984e+04   -1.73750e+06    3.44631e+05   -1.39287e+06    8.33444e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09293e+02   -2.11249e+02   -8.32507e+00    3.25443e-06

           Step           Time
      249300000   498600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66738e+03    1.84171e+04    1.23271e+04    1.04397e+03   -2.79858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38324e+03    1.04554e+05    2.82604e+05   -1.71875e+04   -2.15752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20243e+04   -1.73449e+06    3.46389e+05   -1.38810e+06    8.33728e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10871e+02   -2.11948e+02    5.08253e+01    3.27369e-06

           Step           Time
      249305000   498610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60038e+03    1.83617e+04    1.21645e+04    1.12482e+03   -2.80759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40517e+03    1.04108e+05    2.81421e+05   -1.72070e+04   -2.15721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20435e+04   -1.73599e+06    3.47600e+05   -1.38839e+06    8.33728e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11958e+02   -2.12427e+02   -4.96914e+01    3.30716e-06

           Step           Time
      249310000   498620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24167e+03    1.83286e+04    1.23517e+04    1.06933e+03   -2.93885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44638e+03    1.04614e+05    2.81031e+05   -1.72276e+04   -2.15511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22112e+04   -1.73398e+06    3.46569e+05   -1.38741e+06    8.34415e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11032e+02   -2.12937e+02    1.10649e+02    3.27785e-06

           Step           Time
      249315000   498630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41493e+03    1.85017e+04    1.20996e+04    1.14711e+03   -2.89657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51439e+03    1.04166e+05    2.80816e+05   -1.71936e+04   -2.15537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21131e+04   -1.73469e+06    3.46123e+05   -1.38857e+06    8.34606e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10632e+02   -2.12097e+02    4.94906e+01    3.15213e-06

           Step           Time
      249320000   498640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55117e+03    1.78940e+04    1.22043e+04    1.03519e+03   -2.89492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40904e+03    1.04249e+05    2.77737e+05   -1.71714e+04   -2.15376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20079e+04   -1.73674e+06    3.45955e+05   -1.39079e+06    8.34989e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10481e+02   -2.11551e+02   -1.49767e+02    3.31791e-06

           Step           Time
      249325000   498650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78114e+03    1.81318e+04    1.25024e+04    1.15005e+03   -2.93506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46035e+03    1.03763e+05    2.80877e+05   -1.72049e+04   -2.15492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19824e+04   -1.73441e+06    3.47366e+05   -1.38705e+06    8.34942e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11748e+02   -2.12377e+02   -4.03296e+01    3.33210e-06

           Step           Time
      249330000   498660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65720e+03    1.81995e+04    1.22920e+04    1.04135e+03   -2.94483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49431e+03    1.04497e+05    2.82436e+05   -1.71650e+04   -2.15643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19733e+04   -1.73395e+06    3.45617e+05   -1.38833e+06    8.35035e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10178e+02   -2.11394e+02    7.67361e+01    3.36804e-06

           Step           Time
      249335000   498670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57424e+03    1.84750e+04    1.23767e+04    1.01560e+03   -2.93448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45501e+03    1.04143e+05    2.80217e+05   -1.71885e+04   -2.15441e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20076e+04   -1.73427e+06    3.46779e+05   -1.38749e+06    8.35608e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11220e+02   -2.11972e+02   -6.31594e+01    3.34951e-06

           Step           Time
      249340000   498680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66813e+03    1.84665e+04    1.24741e+04    1.15322e+03   -2.88677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44153e+03    1.03754e+05    2.80065e+05   -1.71846e+04   -2.15262e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20475e+04   -1.73262e+06    3.47301e+05   -1.38532e+06    8.36006e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11689e+02   -2.11876e+02    2.98420e+01    3.34977e-06

           Step           Time
      249345000   498690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49751e+03    1.83218e+04    1.23401e+04    1.07631e+03   -2.80547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46351e+03    1.04308e+05    2.80404e+05   -1.71734e+04   -2.15605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19978e+04   -1.73562e+06    3.47424e+05   -1.38819e+06    8.36090e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11799e+02   -2.11600e+02   -3.94104e+01    3.28878e-06

           Step           Time
      249350000   498700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51245e+03    1.78193e+04    1.26669e+04    1.08353e+03   -2.88049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36998e+03    1.04004e+05    2.80122e+05   -1.71938e+04   -2.15673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18492e+04   -1.73737e+06    3.47698e+05   -1.38968e+06    8.35788e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12046e+02   -2.12103e+02   -6.76312e+01    3.33123e-06

           Step           Time
      249355000   498710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39325e+03    1.83425e+04    1.23348e+04    1.06439e+03   -3.03962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53720e+03    1.04215e+05    2.80664e+05   -1.72278e+04   -2.15779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19648e+04   -1.73755e+06    3.46395e+05   -1.39115e+06    8.36674e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10876e+02   -2.12942e+02    5.92318e+00    3.22112e-06

           Step           Time
      249360000   498720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43549e+03    1.81054e+04    1.23990e+04    1.14589e+03   -2.93630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57603e+03    1.04569e+05    2.83439e+05   -1.72357e+04   -2.15818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20098e+04   -1.73467e+06    3.44850e+05   -1.38982e+06    8.36926e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09490e+02   -2.13136e+02    2.54610e+02    3.31986e-06

           Step           Time
      249365000   498730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48573e+03    1.77787e+04    1.26200e+04    1.08185e+03   -3.06300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51447e+03    1.04458e+05    2.81993e+05   -1.71797e+04   -2.15782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20234e+04   -1.73610e+06    3.46576e+05   -1.38953e+06    8.36774e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11038e+02   -2.11756e+02    5.41487e+01    3.32121e-06

           Step           Time
      249370000   498740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57411e+03    1.80373e+04    1.24669e+04    1.05795e+03   -2.87223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42016e+03    1.04427e+05    2.80415e+05   -1.71714e+04   -2.15489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21004e+04   -1.73444e+06    3.45668e+05   -1.38877e+06    8.36819e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10224e+02   -2.11552e+02   -3.81362e+01    3.33860e-06

           Step           Time
      249375000   498750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75607e+03    1.83461e+04    1.23143e+04    1.09361e+03   -2.86346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51872e+03    1.04101e+05    2.81527e+05   -1.72014e+04   -2.15490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19636e+04   -1.73335e+06    3.46798e+05   -1.38655e+06    8.37278e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11238e+02   -2.12289e+02    6.10612e+01    3.24158e-06

           Step           Time
      249380000   498760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62460e+03    1.85528e+04    1.23151e+04    1.00771e+03   -2.93431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43564e+03    1.04166e+05    2.82085e+05   -1.71384e+04   -2.15614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20394e+04   -1.73398e+06    3.45427e+05   -1.38855e+06    8.37831e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10008e+02   -2.10739e+02   -6.22937e+01    3.16566e-06

           Step           Time
      249385000   498770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40366e+03    1.83161e+04    1.24862e+04    1.08372e+03   -2.88220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58702e+03    1.04527e+05    2.83156e+05   -1.72444e+04   -2.15840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19907e+04   -1.73498e+06    3.46638e+05   -1.38834e+06    8.37976e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11095e+02   -2.13352e+02    2.14522e+02    3.40174e-06

           Step           Time
      249390000   498780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66018e+03    1.81463e+04    1.25635e+04    1.06464e+03   -2.97764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44650e+03    1.04036e+05    2.78858e+05   -1.71981e+04   -2.15090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.16345e+04   -1.73266e+06    3.45540e+05   -1.38712e+06    8.38115e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10109e+02   -2.12209e+02   -1.69331e+01    3.44670e-06

           Step           Time
      249395000   498790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49239e+03    1.82328e+04    1.23614e+04    1.16624e+03   -2.93137e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.26757e+03    1.03644e+05    2.78810e+05   -1.71837e+04   -2.15336e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18603e+04   -1.73564e+06    3.44475e+05   -1.39116e+06    8.38164e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09153e+02   -2.11854e+02   -1.15041e+02    3.47496e-06

           Step           Time
      249400000   498800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37193e+03    1.85153e+04    1.22622e+04    1.00327e+03   -2.94255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40078e+03    1.04260e+05    2.79157e+05   -1.71419e+04   -2.15221e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20535e+04   -1.73327e+06    3.46248e+05   -1.38702e+06    8.38896e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10744e+02   -2.10826e+02   -6.52745e+01    3.30981e-06

           Step           Time
      249405000   498810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52710e+03    1.87213e+04    1.24287e+04    1.04712e+03   -2.87560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35335e+03    1.04010e+05    2.81043e+05   -1.71973e+04   -2.15815e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20169e+04   -1.73707e+06    3.47488e+05   -1.38958e+06    8.38835e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11857e+02   -2.12188e+02   -3.48623e+01    3.29235e-06

           Step           Time
      249410000   498820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55504e+03    1.81850e+04    1.23836e+04    1.06590e+03   -3.03905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42827e+03    1.04114e+05    2.79470e+05   -1.71913e+04   -2.15527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21287e+04   -1.73617e+06    3.44748e+05   -1.39142e+06    8.39420e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09398e+02   -2.12042e+02   -5.20695e+01    3.60348e-06

           Step           Time
      249415000   498830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27151e+03    1.88433e+04    1.23090e+04    1.16903e+03   -2.84309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56818e+03    1.03942e+05    2.77975e+05   -1.72171e+04   -2.15114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20052e+04   -1.73312e+06    3.48504e+05   -1.38462e+06    8.39725e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12769e+02   -2.12678e+02   -2.53926e+01    3.23444e-06

           Step           Time
      249420000   498840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37605e+03    1.83151e+04    1.25509e+04    1.05210e+03   -2.97237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58661e+03    1.04059e+05    2.82542e+05   -1.72247e+04   -2.15706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19826e+04   -1.73479e+06    3.46006e+05   -1.38879e+06    8.39768e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10527e+02   -2.12865e+02    1.88321e+02    3.45360e-06

           Step           Time
      249425000   498850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61560e+03    1.80346e+04    1.22319e+04    1.10791e+03   -2.80226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40467e+03    1.04217e+05    2.83149e+05   -1.72129e+04   -2.16039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19612e+04   -1.73769e+06    3.45239e+05   -1.39245e+06    8.40020e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09839e+02   -2.12574e+02    6.30204e+01    3.31034e-06

           Step           Time
      249430000   498860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72935e+03    1.81279e+04    1.23048e+04    1.06114e+03   -2.85662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40038e+03    1.03748e+05    2.79393e+05   -1.71662e+04   -2.15434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20647e+04   -1.73554e+06    3.46049e+05   -1.38949e+06    8.40168e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10566e+02   -2.11422e+02   -1.64902e+02    3.46589e-06

           Step           Time
      249435000   498870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40714e+03    1.80533e+04    1.21777e+04    1.07668e+03   -2.84399e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50808e+03    1.04419e+05    2.79663e+05   -1.71956e+04   -2.15620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19743e+04   -1.73696e+06    3.43065e+05   -1.39389e+06    8.40844e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07888e+02   -2.12146e+02   -6.04830e+01    3.32554e-06

           Step           Time
      249440000   498880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64064e+03    1.84018e+04    1.21771e+04    1.05445e+03   -2.85148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39244e+03    1.04029e+05    2.79425e+05   -1.71626e+04   -2.15347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19910e+04   -1.73437e+06    3.48052e+05   -1.38632e+06    8.40726e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12363e+02   -2.11335e+02   -4.11063e+01    3.36702e-06

           Step           Time
      249445000   498890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78525e+03    1.83717e+04    1.23072e+04    1.10734e+03   -2.89940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40752e+03    1.03893e+05    2.79248e+05   -1.72049e+04   -2.15230e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19263e+04   -1.73336e+06    3.46643e+05   -1.38672e+06    8.41109e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11099e+02   -2.12375e+02   -1.80070e+01    3.39366e-06

           Step           Time
      249450000   498900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61961e+03    1.83659e+04    1.22061e+04    1.07963e+03   -2.95168e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54525e+03    1.03919e+05    2.79638e+05   -1.71465e+04   -2.15296e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19318e+04   -1.73376e+06    3.46539e+05   -1.38722e+06    8.41245e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11005e+02   -2.10939e+02   -1.07483e+02    3.45830e-06

           Step           Time
      249455000   498910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41700e+03    1.82750e+04    1.23698e+04    1.09076e+03   -2.78812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52627e+03    1.04073e+05    2.82607e+05   -1.72115e+04   -2.15749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19188e+04   -1.73522e+06    3.45861e+05   -1.38935e+06    8.41506e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10397e+02   -2.12539e+02    8.41635e+01    3.35849e-06

           Step           Time
      249460000   498920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44725e+03    1.81562e+04    1.23112e+04    1.13135e+03   -2.93839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51502e+03    1.04150e+05    2.80712e+05   -1.71772e+04   -2.15708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20166e+04   -1.73675e+06    3.46929e+05   -1.38982e+06    8.41818e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11356e+02   -2.11694e+02   -7.81392e+01    3.39863e-06

           Step           Time
      249465000   498930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81232e+03    1.83412e+04    1.23005e+04    1.07596e+03   -2.86867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55952e+03    1.04117e+05    2.81752e+05   -1.72308e+04   -2.15643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18561e+04   -1.73472e+06    3.45804e+05   -1.38892e+06    8.42686e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10346e+02   -2.13016e+02    6.16303e+01    3.41960e-06

           Step           Time
      249470000   498940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69060e+03    1.84808e+04    1.24477e+04    1.11377e+03   -3.08575e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55203e+03    1.04043e+05    2.81137e+05   -1.71711e+04   -2.15313e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20039e+04   -1.73192e+06    3.45606e+05   -1.38631e+06    8.42640e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10168e+02   -2.11543e+02    3.50101e+01    3.40993e-06

           Step           Time
      249475000   498950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52152e+03    1.81436e+04    1.24568e+04    1.10494e+03   -2.87356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51571e+03    1.04248e+05    2.79765e+05   -1.72185e+04   -2.15490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19745e+04   -1.73526e+06    3.47200e+05   -1.38806e+06    8.42761e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11598e+02   -2.12712e+02    2.96969e+01    3.42455e-06

           Step           Time
      249480000   498960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52950e+03    1.79017e+04    1.24579e+04    1.09004e+03   -2.85950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58514e+03    1.04452e+05    2.80869e+05   -1.71552e+04   -2.15504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20291e+04   -1.73414e+06    3.49928e+05   -1.38421e+06    8.42589e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14046e+02   -2.11153e+02    8.14845e+00    3.54778e-06

           Step           Time
      249485000   498970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57745e+03    1.84907e+04    1.23340e+04    1.15321e+03   -2.92003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50138e+03    1.03942e+05    2.81376e+05   -1.72098e+04   -2.15524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18861e+04   -1.73411e+06    3.47063e+05   -1.38704e+06    8.43534e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11475e+02   -2.12497e+02    5.72491e+01    3.39739e-06

           Step           Time
      249490000   498980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53480e+03    1.82608e+04    1.23196e+04    1.09001e+03   -2.96277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60020e+03    1.04412e+05    2.81981e+05   -1.71894e+04   -2.15759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18920e+04   -1.73565e+06    3.46179e+05   -1.38947e+06    8.43682e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10682e+02   -2.11995e+02    2.88921e+01    3.55615e-06

           Step           Time
      249495000   498990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44235e+03    1.82123e+04    1.24155e+04    1.15359e+03   -2.82941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41233e+03    1.03794e+05    2.80461e+05   -1.72172e+04   -2.15717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19619e+04   -1.73736e+06    3.47147e+05   -1.39021e+06    8.43752e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11551e+02   -2.12679e+02   -2.38819e+01    3.43952e-06

           Step           Time
      249500000   499000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59946e+03    1.82558e+04    1.24660e+04    1.06783e+03   -3.00759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42784e+03    1.04240e+05    2.77295e+05   -1.71911e+04   -2.14998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21410e+04   -1.73269e+06    3.45199e+05   -1.38749e+06    8.44020e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09803e+02   -2.12037e+02   -1.50710e+02    3.58825e-06

           Step           Time
      249505000   499010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58701e+03    1.80820e+04    1.25328e+04    1.05634e+03   -2.86765e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54419e+03    1.04687e+05    2.80744e+05   -1.71803e+04   -2.15639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19626e+04   -1.73524e+06    3.46610e+05   -1.38863e+06    8.44409e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11069e+02   -2.11770e+02    1.03037e+01    3.49966e-06

           Step           Time
      249510000   499020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60537e+03    1.80896e+04    1.24669e+04    1.05620e+03   -2.82852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37401e+03    1.04018e+05    2.81465e+05   -1.71743e+04   -2.15851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18149e+04   -1.73762e+06    3.46479e+05   -1.39114e+06    8.44334e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10952e+02   -2.11622e+02   -7.79676e+01    3.42408e-06

           Step           Time
      249515000   499030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51818e+03    1.84134e+04    1.24172e+04    1.14358e+03   -2.96375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39166e+03    1.04115e+05    2.82053e+05   -1.71703e+04   -2.15766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21095e+04   -1.73563e+06    3.47196e+05   -1.38843e+06    8.45102e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11595e+02   -2.11524e+02   -2.21630e+01    3.33765e-06

           Step           Time
      249520000   499040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43654e+03    1.84679e+04    1.23246e+04    1.02173e+03   -2.83057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40140e+03    1.04162e+05    2.80450e+05   -1.71394e+04   -2.15325e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21116e+04   -1.73285e+06    3.46179e+05   -1.38667e+06    8.45014e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10683e+02   -2.10764e+02   -4.68928e+01    3.57460e-06

           Step           Time
      249525000   499050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42531e+03    1.87343e+04    1.23051e+04    1.11497e+03   -2.78012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44944e+03    1.03461e+05    2.80464e+05   -1.71894e+04   -2.15512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19764e+04   -1.73516e+06    3.45944e+05   -1.38922e+06    8.45230e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10471e+02   -2.11994e+02   -4.38006e+01    3.53875e-06

           Step           Time
      249530000   499060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42448e+03    1.81771e+04    1.23003e+04    1.08322e+03   -2.95526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48683e+03    1.04877e+05    2.80572e+05   -1.71823e+04   -2.15773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20225e+04   -1.73692e+06    3.46765e+05   -1.39016e+06    8.45690e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11208e+02   -2.11819e+02   -5.91508e+01    3.31283e-06

           Step           Time
      249535000   499070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47858e+03    1.77658e+04    1.23189e+04    1.09693e+03   -2.99423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52999e+03    1.04094e+05    2.80378e+05   -1.71891e+04   -2.15531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20309e+04   -1.73580e+06    3.46771e+05   -1.38903e+06    8.44984e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11214e+02   -2.11988e+02   -2.23826e+01    3.48444e-06

           Step           Time
      249540000   499080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46669e+03    1.82654e+04    1.23713e+04    1.06773e+03   -2.92667e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51446e+03    1.04424e+05    2.81020e+05   -1.71766e+04   -2.15860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20351e+04   -1.73754e+06    3.47528e+05   -1.39001e+06    8.45919e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11893e+02   -2.11678e+02   -3.43629e+01    3.34859e-06

           Step           Time
      249545000   499090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52707e+03    1.81387e+04    1.23380e+04    1.08140e+03   -2.87358e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55547e+03    1.04404e+05    2.79261e+05   -1.72031e+04   -2.15633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21390e+04   -1.73696e+06    3.46126e+05   -1.39083e+06    8.46204e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10634e+02   -2.12333e+02   -3.04721e+01    3.48092e-06

           Step           Time
      249550000   499100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45179e+03    1.82614e+04    1.24835e+04    1.08243e+03   -2.97795e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43494e+03    1.04220e+05    2.79161e+05   -1.71509e+04   -2.15294e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18943e+04   -1.73408e+06    3.46479e+05   -1.38760e+06    8.46196e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10951e+02   -2.11047e+02   -1.63322e+02    3.56733e-06

           Step           Time
      249555000   499110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.18192e+03    1.82267e+04    1.23351e+04    1.13684e+03   -3.00987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45385e+03    1.04185e+05    2.79597e+05   -1.71589e+04   -2.15526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18981e+04   -1.73642e+06    3.47345e+05   -1.38907e+06    8.46434e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11729e+02   -2.11242e+02   -5.59811e+01    3.41770e-06

           Step           Time
      249560000   499120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47968e+03    1.82427e+04    1.23448e+04    1.09020e+03   -2.79684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42313e+03    1.03936e+05    2.80561e+05   -1.71999e+04   -2.15689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21371e+04   -1.73667e+06    3.48239e+05   -1.38843e+06    8.46916e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12531e+02   -2.12253e+02   -4.58277e+01    3.35092e-06

           Step           Time
      249565000   499130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25600e+03    1.83572e+04    1.24620e+04    1.17701e+03   -2.88079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54802e+03    1.04035e+05    2.80974e+05   -1.72255e+04   -2.15419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19480e+04   -1.73353e+06    3.47241e+05   -1.38629e+06    8.47071e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11635e+02   -2.12885e+02    2.41475e+01    3.51074e-06

           Step           Time
      249570000   499140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58409e+03    1.80788e+04    1.24058e+04    1.08085e+03   -2.91473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58954e+03    1.04059e+05    2.82015e+05   -1.71980e+04   -2.15597e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20156e+04   -1.73425e+06    3.47806e+05   -1.38644e+06    8.47282e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12142e+02   -2.12205e+02    9.42295e+01    3.45490e-06

           Step           Time
      249575000   499150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54802e+03    1.81369e+04    1.24191e+04    1.10467e+03   -2.80462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39092e+03    1.04292e+05    2.79481e+05   -1.72074e+04   -2.15329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20126e+04   -1.73391e+06    3.46957e+05   -1.38696e+06    8.47488e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11381e+02   -2.12437e+02   -3.48262e+01    3.66630e-06

           Step           Time
      249580000   499160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25589e+03    1.81595e+04    1.23435e+04    1.06684e+03   -2.88256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46897e+03    1.04803e+05    2.81009e+05   -1.72348e+04   -2.15814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20366e+04   -1.73711e+06    3.45979e+05   -1.39113e+06    8.47978e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10503e+02   -2.13115e+02    2.55493e+01    3.38924e-06

           Step           Time
      249585000   499170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59575e+03    1.82185e+04    1.23212e+04    1.02474e+03   -2.95300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33872e+03    1.04179e+05    2.78927e+05   -1.72339e+04   -2.15424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21496e+04   -1.73567e+06    3.46080e+05   -1.38959e+06    8.48460e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10593e+02   -2.13093e+02   -7.51454e+01    3.46158e-06

           Step           Time
      249590000   499180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49974e+03    1.82578e+04    1.24031e+04    1.03641e+03   -2.90472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64944e+03    1.03951e+05    2.82304e+05   -1.72326e+04   -2.16014e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21681e+04   -1.73801e+06    3.47027e+05   -1.39098e+06    8.48716e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11443e+02   -2.13059e+02    8.28802e+01    3.28280e-06

           Step           Time
      249595000   499190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28848e+03    1.79991e+04    1.23452e+04    1.07261e+03   -2.98283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43409e+03    1.03907e+05    2.83077e+05   -1.71973e+04   -2.15989e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20302e+04   -1.73791e+06    3.46193e+05   -1.39172e+06    8.48692e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10695e+02   -2.12189e+02    4.91094e+01    3.42177e-06

           Step           Time
      249600000   499200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42120e+03    1.82402e+04    1.21800e+04    1.05259e+03   -2.74667e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59870e+03    1.03724e+05    2.80469e+05   -1.71476e+04   -2.15396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20321e+04   -1.73413e+06    3.46109e+05   -1.38803e+06    8.48988e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10619e+02   -2.10965e+02   -2.26679e+01    3.52369e-06

Writing checkpoint, step 249604100 at Sat Dec  2 04:38:07 2023


           Step           Time
      249605000   499210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29346e+03    1.83688e+04    1.23947e+04    1.11085e+03   -2.94327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62800e+03    1.03578e+05    2.79236e+05   -1.71521e+04   -2.15301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21045e+04   -1.73440e+06    3.46817e+05   -1.38758e+06    8.48875e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11255e+02   -2.11076e+02    3.72610e+01    3.47964e-06

           Step           Time
      249610000   499220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53396e+03    1.82511e+04    1.24891e+04    1.10804e+03   -2.89060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48519e+03    1.04015e+05    2.79359e+05   -1.71715e+04   -2.15446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19504e+04   -1.73533e+06    3.45790e+05   -1.38954e+06    8.49382e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10333e+02   -2.11554e+02   -3.62059e+01    3.45206e-06

           Step           Time
      249615000   499230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44909e+03    1.83673e+04    1.23945e+04    1.14066e+03   -2.87634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54227e+03    1.03559e+05    2.80744e+05   -1.71654e+04   -2.15507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21836e+04   -1.73473e+06    3.46767e+05   -1.38796e+06    8.49945e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11209e+02   -2.11403e+02   -3.62021e+01    3.41668e-06

           Step           Time
      249620000   499240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50167e+03    1.84371e+04    1.24384e+04    1.01342e+03   -2.85642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45064e+03    1.04078e+05    2.80613e+05   -1.71910e+04   -2.15346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20382e+04   -1.73294e+06    3.47945e+05   -1.38500e+06    8.50312e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12267e+02   -2.12034e+02    2.01165e+01    3.47291e-06

           Step           Time
      249625000   499250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61425e+03    1.81230e+04    1.23112e+04    1.02501e+03   -2.98606e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46784e+03    1.03888e+05    2.78881e+05   -1.71744e+04   -2.15280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20197e+04   -1.73463e+06    3.46636e+05   -1.38799e+06    8.50531e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11092e+02   -2.11624e+02   -8.75735e+01    3.42980e-06

           Step           Time
      249630000   499260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49144e+03    1.80150e+04    1.23763e+04    1.07799e+03   -2.85729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61856e+03    1.04478e+05    2.81675e+05   -1.71857e+04   -2.15592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17980e+04   -1.73443e+06    3.46902e+05   -1.38753e+06    8.50934e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11331e+02   -2.11902e+02    1.11039e+02    3.38179e-06

           Step           Time
      249635000   499270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74735e+03    1.82024e+04    1.23691e+04    1.15876e+03   -2.91020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45643e+03    1.04274e+05    2.82444e+05   -1.72054e+04   -2.15733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20785e+04   -1.73471e+06    3.46749e+05   -1.38796e+06    8.51500e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11194e+02   -2.12389e+02    7.68260e+01    3.30756e-06

           Step           Time
      249640000   499280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40216e+03    1.81650e+04    1.23041e+04    1.06996e+03   -2.83856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51868e+03    1.03815e+05    2.83035e+05   -1.71964e+04   -2.15845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21202e+04   -1.73605e+06    3.46659e+05   -1.38939e+06    8.51246e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11113e+02   -2.12167e+02    6.84662e+01    3.48023e-06

           Step           Time
      249645000   499290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47714e+03    1.82923e+04    1.24353e+04    1.17762e+03   -2.96026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54172e+03    1.04287e+05    2.80472e+05   -1.71600e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18421e+04   -1.73479e+06    3.45388e+05   -1.38940e+06    8.52010e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09972e+02   -2.11271e+02   -3.84839e+01    3.57189e-06

           Step           Time
      249650000   499300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72910e+03    1.80114e+04    1.24458e+04    1.00462e+03   -2.76162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52073e+03    1.03682e+05    2.83242e+05   -1.72198e+04   -2.15636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20980e+04   -1.73361e+06    3.47367e+05   -1.38624e+06    8.52054e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11748e+02   -2.12743e+02    1.67926e+02    3.48510e-06

           Step           Time
      249655000   499310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43568e+03    1.77814e+04    1.24543e+04    1.05434e+03   -2.86720e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65079e+03    1.04040e+05    2.80639e+05   -1.71594e+04   -2.15395e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20173e+04   -1.73391e+06    3.45706e+05   -1.38820e+06    8.52568e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10258e+02   -2.11256e+02   -2.19698e+01    3.37112e-06

           Step           Time
      249660000   499320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60888e+03    1.81929e+04    1.24435e+04    1.02825e+03   -2.89146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53698e+03    1.03643e+05    2.80209e+05   -1.71817e+04   -2.15279e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18859e+04   -1.73332e+06    3.47301e+05   -1.38602e+06    8.52486e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11689e+02   -2.11805e+02    1.64698e+01    3.49739e-06

           Step           Time
      249665000   499330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70313e+03    1.81288e+04    1.24515e+04    1.11102e+03   -2.89092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51556e+03    1.03548e+05    2.79775e+05   -1.72167e+04   -2.15385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20992e+04   -1.73463e+06    3.47993e+05   -1.38663e+06    8.52740e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12310e+02   -2.12667e+02   -1.94201e+01    3.50591e-06

           Step           Time
      249670000   499340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67553e+03    1.83097e+04    1.22765e+04    1.13213e+03   -2.87337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36550e+03    1.03571e+05    2.80818e+05   -1.71786e+04   -2.15700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20680e+04   -1.73684e+06    3.45241e+05   -1.39160e+06    8.53394e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09840e+02   -2.11729e+02   -7.24598e+01    3.43148e-06

           Step           Time
      249675000   499350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74595e+03    1.80600e+04    1.23559e+04    1.10885e+03   -2.98237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44079e+03    1.03859e+05    2.82647e+05   -1.71634e+04   -2.15794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20886e+04   -1.73578e+06    3.48111e+05   -1.38767e+06    8.53739e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12416e+02   -2.11355e+02    5.82971e+01    3.47691e-06

           Step           Time
      249680000   499360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35605e+03    1.79747e+04    1.25902e+04    1.05779e+03   -2.91094e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50905e+03    1.03989e+05    2.82867e+05   -1.72256e+04   -2.15995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19622e+04   -1.73778e+06    3.44416e+05   -1.39337e+06    8.54030e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09100e+02   -2.12886e+02    6.80615e+01    3.30575e-06

           Step           Time
      249685000   499370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59653e+03    1.87447e+04    1.25022e+04    1.00733e+03   -2.97112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47811e+03    1.04214e+05    2.80085e+05   -1.71610e+04   -2.15196e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21564e+04   -1.73130e+06    3.47270e+05   -1.38403e+06    8.54202e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11661e+02   -2.11295e+02   -5.57993e+01    3.43776e-06

           Step           Time
      249690000   499380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57603e+03    1.81996e+04    1.22635e+04    1.04113e+03   -2.95385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51626e+03    1.04193e+05    2.82893e+05   -1.71455e+04   -2.15705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21449e+04   -1.73433e+06    3.49324e+05   -1.38500e+06    8.54026e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13504e+02   -2.10913e+02    6.43960e+01    3.70140e-06

           Step           Time
      249695000   499390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41133e+03    1.82739e+04    1.25127e+04    1.14985e+03   -2.97115e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56307e+03    1.04276e+05    2.78276e+05   -1.71798e+04   -2.15223e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20387e+04   -1.73388e+06    3.47660e+05   -1.38622e+06    8.54529e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12012e+02   -2.11756e+02   -9.35986e+01    3.34694e-06

           Step           Time
      249700000   499400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52324e+03    1.81571e+04    1.24208e+04    1.12400e+03   -2.95397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42812e+03    1.03813e+05    2.82931e+05   -1.71623e+04   -2.15882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21762e+04   -1.73637e+06    3.46384e+05   -1.38998e+06    8.54989e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10866e+02   -2.11328e+02    2.94240e+01    3.30289e-06

           Step           Time
      249705000   499410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42994e+03    1.78935e+04    1.24157e+04    9.84307e+02   -2.85076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55494e+03    1.04395e+05    2.80572e+05   -1.72174e+04   -2.15770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21619e+04   -1.73736e+06    3.45838e+05   -1.39152e+06    8.55438e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10376e+02   -2.12685e+02   -3.60264e+01    3.42975e-06

           Step           Time
      249710000   499420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72671e+03    1.78904e+04    1.25909e+04    1.07821e+03   -2.87358e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47632e+03    1.04184e+05    2.80081e+05   -1.71737e+04   -2.15580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20514e+04   -1.73577e+06    3.46410e+05   -1.38936e+06    8.55484e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10889e+02   -2.11607e+02   -7.05213e+01    3.17270e-06

           Step           Time
      249715000   499430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45677e+03    1.81501e+04    1.23571e+04    1.11818e+03   -2.86874e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48708e+03    1.04114e+05    2.80790e+05   -1.71169e+04   -2.15325e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19831e+04   -1.73278e+06    3.47713e+05   -1.38507e+06    8.55859e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12059e+02   -2.10212e+02   -8.40375e+00    3.38602e-06

           Step           Time
      249720000   499440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49530e+03    1.83934e+04    1.24588e+04    1.10238e+03   -2.95267e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60273e+03    1.04496e+05    2.79837e+05   -1.71632e+04   -2.14992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22025e+04   -1.72944e+06    3.47711e+05   -1.38173e+06    8.55920e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12057e+02   -2.11349e+02    7.08555e+01    3.28042e-06

           Step           Time
      249725000   499450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55042e+03    1.77484e+04    1.25684e+04    1.06988e+03   -2.96376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51130e+03    1.04398e+05    2.82563e+05   -1.72333e+04   -2.15781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20372e+04   -1.73556e+06    3.46210e+05   -1.38935e+06    8.55861e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10710e+02   -2.13077e+02    1.22883e+02    3.44117e-06

           Step           Time
      249730000   499460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60581e+03    1.83589e+04    1.24518e+04    1.11930e+03   -2.78493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57758e+03    1.04672e+05    2.81656e+05   -1.71525e+04   -2.15409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21703e+04   -1.73142e+06    3.46473e+05   -1.38495e+06    8.56686e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10946e+02   -2.11085e+02    3.93550e+01    3.32587e-06

           Step           Time
      249735000   499470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50106e+03    1.84470e+04    1.24267e+04    1.08938e+03   -2.91204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53952e+03    1.04537e+05    2.80663e+05   -1.71530e+04   -2.15260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19894e+04   -1.73147e+06    3.45452e+05   -1.38602e+06    8.57176e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10030e+02   -2.11100e+02   -1.35298e+01    3.32763e-06

           Step           Time
      249740000   499480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48275e+03    1.83657e+04    1.23978e+04    1.01548e+03   -2.86648e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59691e+03    1.04385e+05    2.78501e+05   -1.71925e+04   -2.15299e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19594e+04   -1.73435e+06    3.46258e+05   -1.38809e+06    8.57246e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10753e+02   -2.12072e+02   -8.80057e+01    3.27458e-06

           Step           Time
      249745000   499490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40255e+03    1.82409e+04    1.26297e+04    1.08443e+03   -2.96945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55319e+03    1.03893e+05    2.80072e+05   -1.72062e+04   -2.15277e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20947e+04   -1.73297e+06    3.47726e+05   -1.38524e+06    8.57016e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12071e+02   -2.12409e+02    3.47541e+00    3.37799e-06

           Step           Time
      249750000   499500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67371e+03    1.81566e+04    1.22710e+04    1.20656e+03   -2.84171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56586e+03    1.03977e+05    2.82344e+05   -1.72010e+04   -2.15495e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18274e+04   -1.73297e+06    3.46206e+05   -1.38677e+06    8.57790e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10707e+02   -2.12281e+02    7.51796e+01    3.41605e-06

           Step           Time
      249755000   499510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69995e+03    1.79166e+04    1.22556e+04    1.13553e+03   -2.83655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50018e+03    1.04439e+05    2.81387e+05   -1.71637e+04   -2.15337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20409e+04   -1.73199e+06    3.44316e+05   -1.38768e+06    8.57735e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09010e+02   -2.11361e+02   -2.42119e+01    3.29046e-06

           Step           Time
      249760000   499520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69549e+03    1.82551e+04    1.24211e+04    1.13244e+03   -2.96218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57981e+03    1.04026e+05    2.78041e+05   -1.71794e+04   -2.15412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20895e+04   -1.73602e+06    3.44947e+05   -1.39107e+06    8.58256e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09577e+02   -2.11747e+02   -1.20279e+02    3.16221e-06

           Step           Time
      249765000   499530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58173e+03    1.81401e+04    1.24128e+04    1.01459e+03   -2.92755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44982e+03    1.03703e+05    2.80111e+05   -1.71766e+04   -2.15433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22042e+04   -1.73482e+06    3.45234e+05   -1.38958e+06    8.57932e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09834e+02   -2.11680e+02   -6.06038e+01    3.34146e-06

           Step           Time
      249770000   499540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71571e+03    1.83182e+04    1.24012e+04    1.10029e+03   -2.93313e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41623e+03    1.03818e+05    2.80188e+05   -1.72104e+04   -2.15322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18564e+04   -1.73355e+06    3.47312e+05   -1.38623e+06    8.58294e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11699e+02   -2.12511e+02   -4.52024e+00    3.37658e-06

           Step           Time
      249775000   499550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66239e+03    1.84592e+04    1.25303e+04    1.14165e+03   -2.93457e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61234e+03    1.03798e+05    2.81790e+05   -1.71802e+04   -2.15709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18522e+04   -1.73536e+06    3.47113e+05   -1.38825e+06    8.58882e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11520e+02   -2.11769e+02    2.33180e+01    3.34685e-06

           Step           Time
      249780000   499560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40067e+03    1.82404e+04    1.24053e+04    1.06509e+03   -2.95803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66079e+03    1.04092e+05    2.80528e+05   -1.71647e+04   -2.15561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21059e+04   -1.73523e+06    3.44795e+05   -1.39044e+06    8.59126e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09441e+02   -2.11385e+02    4.75060e+00    3.36694e-06

           Step           Time
      249785000   499570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42795e+03    1.84767e+04    1.25857e+04    9.77627e+02   -3.08825e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52065e+03    1.04043e+05    2.81825e+05   -1.71823e+04   -2.15704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19620e+04   -1.73549e+06    3.45860e+05   -1.38963e+06    8.59069e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10396e+02   -2.11820e+02    8.42247e+01    3.43214e-06

           Step           Time
      249790000   499580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55443e+03    1.83529e+04    1.24203e+04    1.12721e+03   -2.89582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47119e+03    1.03919e+05    2.79105e+05   -1.71804e+04   -2.15374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19422e+04   -1.73492e+06    3.46479e+05   -1.38844e+06    8.59639e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10952e+02   -2.11772e+02   -5.41602e+01    3.32020e-06

           Step           Time
      249795000   499590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60893e+03    1.84805e+04    1.23480e+04    1.11456e+03   -2.86360e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45785e+03    1.03894e+05    2.79517e+05   -1.71508e+04   -2.15332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21804e+04   -1.73374e+06    3.46481e+05   -1.38725e+06    8.59765e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10954e+02   -2.11045e+02   -7.33047e+01    3.43203e-06

           Step           Time
      249800000   499600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58502e+03    1.83156e+04    1.24824e+04    1.12723e+03   -2.91787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57181e+03    1.03864e+05    2.81665e+05   -1.71872e+04   -2.15661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20032e+04   -1.73510e+06    3.46073e+05   -1.38903e+06    8.60356e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10587e+02   -2.11939e+02    7.84585e+01    3.32807e-06

           Step           Time
      249805000   499610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65569e+03    1.80795e+04    1.22669e+04    9.82504e+02   -2.88528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43782e+03    1.04228e+05    2.81459e+05   -1.71779e+04   -2.15637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22108e+04   -1.73511e+06    3.47383e+05   -1.38773e+06    8.60095e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11763e+02   -2.11712e+02   -2.02405e+01    3.23393e-06

           Step           Time
      249810000   499620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59803e+03    1.81753e+04    1.22361e+04    1.09249e+03   -2.84186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51569e+03    1.04082e+05    2.83427e+05   -1.71703e+04   -2.15950e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19545e+04   -1.73643e+06    3.46360e+05   -1.39007e+06    8.60240e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10844e+02   -2.11523e+02    1.92906e+01    3.22946e-06

           Step           Time
      249815000   499630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67912e+03    1.81998e+04    1.24468e+04    1.06763e+03   -2.93392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36370e+03    1.03794e+05    2.80836e+05   -1.72044e+04   -2.15354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18607e+04   -1.73343e+06    3.47848e+05   -1.38558e+06    8.60472e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12180e+02   -2.12364e+02    3.41015e+01    3.52938e-06

           Step           Time
      249820000   499640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48805e+03    1.83988e+04    1.24835e+04    1.11884e+03   -2.89356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40165e+03    1.04620e+05    2.79353e+05   -1.71755e+04   -2.15087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21027e+04   -1.73098e+06    3.47563e+05   -1.38341e+06    8.60699e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11924e+02   -2.11652e+02   -1.87944e+01    3.33121e-06

           Step           Time
      249825000   499650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52083e+03    1.85220e+04    1.24965e+04    1.00926e+03   -2.95970e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62355e+03    1.04136e+05    2.80729e+05   -1.71801e+04   -2.15491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20924e+04   -1.73392e+06    3.48239e+05   -1.38568e+06    8.60555e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12531e+02   -2.11764e+02    6.15364e-01    3.41632e-06

           Step           Time
      249830000   499660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45886e+03    1.82337e+04    1.24630e+04    1.13186e+03   -2.99188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53210e+03    1.04494e+05    2.81421e+05   -1.71971e+04   -2.15822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18966e+04   -1.73678e+06    3.46908e+05   -1.38987e+06    8.61026e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11337e+02   -2.12183e+02   -8.58447e+00    3.42816e-06

           Step           Time
      249835000   499670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41183e+03    1.81765e+04    1.24249e+04    1.07813e+03   -3.01761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58419e+03    1.04575e+05    2.81754e+05   -1.72212e+04   -2.15888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18450e+04   -1.73727e+06    3.45812e+05   -1.39145e+06    8.61326e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10353e+02   -2.12779e+02    1.25005e+02    3.33320e-06

           Step           Time
      249840000   499680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65366e+03    1.83084e+04    1.23582e+04    1.12295e+03   -2.89544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60385e+03    1.04089e+05    2.82910e+05   -1.72046e+04   -2.15748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22181e+04   -1.73432e+06    3.45472e+05   -1.38885e+06    8.62108e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10048e+02   -2.12368e+02    1.39873e+02    3.38955e-06

           Step           Time
      249845000   499690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60376e+03    1.85339e+04    1.23260e+04    1.13373e+03   -2.96189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54129e+03    1.03937e+05    2.82997e+05   -1.72284e+04   -2.15940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19600e+04   -1.73656e+06    3.47266e+05   -1.38929e+06    8.62270e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11658e+02   -2.12955e+02    1.31146e+02    3.38356e-06

           Step           Time
      249850000   499700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56664e+03    1.81283e+04    1.25476e+04    1.08447e+03   -2.89818e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46436e+03    1.04051e+05    2.80272e+05   -1.71553e+04   -2.15270e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22941e+04   -1.73235e+06    3.46245e+05   -1.38610e+06    8.62434e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10741e+02   -2.11155e+02   -5.28384e+01    3.40103e-06

           Step           Time
      249855000   499710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86062e+03    1.84168e+04    1.23381e+04    1.10401e+03   -2.93137e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43992e+03    1.03774e+05    2.80914e+05   -1.71919e+04   -2.15439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19904e+04   -1.73368e+06    3.46393e+05   -1.38729e+06    8.62966e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10874e+02   -2.12055e+02   -1.58992e+01    3.36681e-06

           Step           Time
      249860000   499720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46155e+03    1.80279e+04    1.23778e+04    1.06935e+03   -3.03363e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39408e+03    1.04306e+05    2.80981e+05   -1.71908e+04   -2.15520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20197e+04   -1.73479e+06    3.44600e+05   -1.39019e+06    8.63208e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09265e+02   -2.12030e+02   -1.71748e+01    3.48494e-06

           Step           Time
      249865000   499730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74673e+03    1.79968e+04    1.23402e+04    1.09131e+03   -2.83737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50774e+03    1.04154e+05    2.78361e+05   -1.71564e+04   -2.15231e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21186e+04   -1.73398e+06    3.46827e+05   -1.38716e+06    8.63394e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11264e+02   -2.11182e+02   -1.17321e+02    3.44596e-06

           Step           Time
      249870000   499740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52356e+03    1.81119e+04    1.25187e+04    1.11054e+03   -2.85810e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46875e+03    1.04388e+05    2.76454e+05   -1.71758e+04   -2.15065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19578e+04   -1.73415e+06    3.46163e+05   -1.38799e+06    8.63898e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10668e+02   -2.11658e+02   -1.69818e+02    3.49051e-06

           Step           Time
      249875000   499750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41127e+03    1.80065e+04    1.25005e+04    1.12775e+03   -2.95562e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53119e+03    1.04135e+05    2.81556e+05   -1.71750e+04   -2.15582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19842e+04   -1.73469e+06    3.45787e+05   -1.38891e+06    8.64238e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10331e+02   -2.11638e+02    7.22211e+00    3.37281e-06

           Step           Time
      249880000   499760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60974e+03    1.82921e+04    1.24428e+04    1.01513e+03   -2.89797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35080e+03    1.04337e+05    2.78726e+05   -1.71875e+04   -2.15083e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22010e+04   -1.73194e+06    3.46790e+05   -1.38515e+06    8.64421e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11230e+02   -2.11948e+02   -9.45286e+01    3.35017e-06

           Step           Time
      249885000   499770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57521e+03    1.79495e+04    1.26091e+04    1.14026e+03   -2.97329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53077e+03    1.04039e+05    2.81417e+05   -1.71819e+04   -2.15458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19337e+04   -1.73354e+06    3.47364e+05   -1.38617e+06    8.64735e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11746e+02   -2.11809e+02    5.58970e+01    3.32453e-06

           Step           Time
      249890000   499780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47114e+03    1.86071e+04    1.24632e+04    1.10923e+03   -2.96812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49778e+03    1.04159e+05    2.79926e+05   -1.71965e+04   -2.15392e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20559e+04   -1.73380e+06    3.47467e+05   -1.38633e+06    8.65238e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11838e+02   -2.12169e+02    1.06757e+01    3.52603e-06

           Step           Time
      249895000   499790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36481e+03    1.81484e+04    1.24485e+04    1.11648e+03   -2.90009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60616e+03    1.04078e+05    2.84193e+05   -1.72578e+04   -2.16255e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19028e+04   -1.73885e+06    3.46989e+05   -1.39186e+06    8.65334e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11409e+02   -2.13682e+02    2.35561e+02    3.45533e-06

           Step           Time
      249900000   499800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45079e+03    1.79568e+04    1.23075e+04    1.04523e+03   -2.96699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45262e+03    1.03890e+05    2.82093e+05   -1.71761e+04   -2.15776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19975e+04   -1.73671e+06    3.47222e+05   -1.38948e+06    8.65281e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11619e+02   -2.11667e+02    7.55867e+01    3.31113e-06

           Step           Time
      249905000   499810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84249e+03    1.80871e+04    1.22361e+04    1.06500e+03   -3.09815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43454e+03    1.04179e+05    2.79776e+05   -1.71909e+04   -2.15510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19335e+04   -1.73583e+06    3.44657e+05   -1.39117e+06    8.65954e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09316e+02   -2.12032e+02   -5.89799e+01    3.34146e-06

           Step           Time
      249910000   499820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74672e+03    1.84650e+04    1.23404e+04    1.12686e+03   -2.87455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42839e+03    1.04494e+05    2.80012e+05   -1.71839e+04   -2.15553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20735e+04   -1.73490e+06    3.48206e+05   -1.38669e+06    8.66562e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12502e+02   -2.11859e+02   -9.75629e+01    3.38622e-06

           Step           Time
      249915000   499830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68079e+03    1.80018e+04    1.24675e+04    1.06767e+03   -3.03480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51380e+03    1.03804e+05    2.82838e+05   -1.72078e+04   -2.15911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18346e+04   -1.73715e+06    3.47084e+05   -1.39006e+06    8.66489e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11494e+02   -2.12448e+02    8.85900e+01    3.28876e-06

           Step           Time
      249920000   499840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50199e+03    1.82131e+04    1.23328e+04    1.06012e+03   -2.84464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46211e+03    1.04161e+05    2.82943e+05   -1.71950e+04   -2.15710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20840e+04   -1.73438e+06    3.47159e+05   -1.38722e+06    8.66734e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11562e+02   -2.12133e+02    1.09605e+02    3.59678e-06

           Step           Time
      249925000   499850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61715e+03    1.83018e+04    1.24116e+04    1.01827e+03   -2.89547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42171e+03    1.03678e+05    2.80828e+05   -1.71637e+04   -2.15709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18613e+04   -1.73701e+06    3.46655e+05   -1.39035e+06    8.66940e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11110e+02   -2.11362e+02   -8.60621e+01    3.27705e-06

           Step           Time
      249930000   499860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70599e+03    1.82832e+04    1.23713e+04    1.15389e+03   -2.90953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.31192e+03    1.03516e+05    2.78336e+05   -1.71765e+04   -2.15147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19467e+04   -1.73393e+06    3.47593e+05   -1.38634e+06    8.66809e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11951e+02   -2.11677e+02   -1.09963e+02    3.47080e-06

           Step           Time
      249935000   499870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37664e+03    1.80597e+04    1.23707e+04    1.08811e+03   -2.84622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49321e+03    1.04226e+05    2.80290e+05   -1.72003e+04   -2.15568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20247e+04   -1.73580e+06    3.45383e+05   -1.39041e+06    8.67494e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09967e+02   -2.12264e+02   -2.54584e+01    3.15448e-06

           Step           Time
      249940000   499880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42514e+03    1.84014e+04    1.24228e+04    1.06315e+03   -3.02873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45864e+03    1.03842e+05    2.80944e+05   -1.71865e+04   -2.15535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20883e+04   -1.73492e+06    3.45972e+05   -1.38895e+06    8.67320e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10496e+02   -2.11922e+02   -3.82692e+00    3.47054e-06

           Step           Time
      249945000   499890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29818e+03    1.81935e+04    1.23539e+04    1.07728e+03   -2.77827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54036e+03    1.03916e+05    2.82087e+05   -1.71809e+04   -2.15701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21009e+04   -1.73540e+06    3.46524e+05   -1.38887e+06    8.67614e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10992e+02   -2.11784e+02    1.11399e+02    3.26188e-06

           Step           Time
      249950000   499900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70628e+03    1.85088e+04    1.23514e+04    1.02579e+03   -2.82678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64135e+03    1.03941e+05    2.78914e+05   -1.71762e+04   -2.14964e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21137e+04   -1.73044e+06    3.47744e+05   -1.38270e+06    8.68090e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12087e+02   -2.11669e+02    4.06920e+01    3.58635e-06

           Step           Time
      249955000   499910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53423e+03    1.82598e+04    1.24324e+04    1.03807e+03   -2.89161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43140e+03    1.03900e+05    2.81936e+05   -1.71888e+04   -2.15860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18283e+04   -1.73732e+06    3.46677e+05   -1.39064e+06    8.68385e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11129e+02   -2.11979e+02    4.93147e+01    3.48337e-06

           Step           Time
      249960000   499920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65606e+03    1.85680e+04    1.22789e+04    1.04351e+03   -2.88786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46497e+03    1.03675e+05    2.80584e+05   -1.72176e+04   -2.15406e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20173e+04   -1.73388e+06    3.47851e+05   -1.38603e+06    8.68485e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12182e+02   -2.12690e+02    3.33302e+01    3.45338e-06

           Step           Time
      249965000   499930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44191e+03    1.79811e+04    1.23846e+04    1.05964e+03   -2.97976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48257e+03    1.03917e+05    2.83081e+05   -1.72257e+04   -2.15920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19096e+04   -1.73715e+06    3.45550e+05   -1.39160e+06    8.68789e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10118e+02   -2.12890e+02    1.24185e+02    3.31845e-06

           Step           Time
      249970000   499940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70169e+03    1.83779e+04    1.24186e+04    1.09067e+03   -2.92885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40154e+03    1.03583e+05    2.80651e+05   -1.71874e+04   -2.15656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19527e+04   -1.73650e+06    3.45421e+05   -1.39108e+06    8.69385e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10002e+02   -2.11945e+02    1.79733e+01    3.39386e-06

           Step           Time
      249975000   499950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29403e+03    1.82151e+04    1.24911e+04    1.05263e+03   -2.89982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53021e+03    1.04054e+05    2.80345e+05   -1.71988e+04   -2.15679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19768e+04   -1.73693e+06    3.45770e+05   -1.39116e+06    8.69409e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10315e+02   -2.12227e+02    3.29745e+01    3.44801e-06

           Step           Time
      249980000   499960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45078e+03    1.85296e+04    1.22170e+04    1.04274e+03   -2.84362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56692e+03    1.03804e+05    2.80617e+05   -1.71988e+04   -2.15529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18320e+04   -1.73528e+06    3.47821e+05   -1.38746e+06    8.69648e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12156e+02   -2.12227e+02    5.27718e+01    3.41024e-06

           Step           Time
      249985000   499970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48161e+03    1.82391e+04    1.24264e+04    1.08657e+03   -2.96399e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47245e+03    1.03856e+05    2.79463e+05   -1.71985e+04   -2.15379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20032e+04   -1.73492e+06    3.47257e+05   -1.38767e+06    8.69858e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11650e+02   -2.12218e+02   -6.43466e+01    3.32798e-06

           Step           Time
      249990000   499980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30518e+03    1.85957e+04    1.23359e+04    1.07190e+03   -2.87794e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53979e+03    1.03638e+05    2.81408e+05   -1.72152e+04   -2.15531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18501e+04   -1.73466e+06    3.47748e+05   -1.38691e+06    8.70360e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12090e+02   -2.12630e+02    1.33395e+02    3.35091e-06

           Step           Time
      249995000   499990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39872e+03    1.79549e+04    1.23189e+04    1.08808e+03   -2.87764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68050e+03    1.04173e+05    2.81246e+05   -1.71632e+04   -2.15498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18702e+04   -1.73429e+06    3.45992e+05   -1.38830e+06    8.70530e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10515e+02   -2.11350e+02    6.64323e+01    3.43489e-06

           Step           Time
      250000000   500000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60916e+03    1.81007e+04    1.24697e+04    1.00390e+03   -2.88393e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44774e+03    1.03388e+05    2.78559e+05   -1.71890e+04   -2.15335e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19974e+04   -1.73585e+06    3.48282e+05   -1.38757e+06    8.70419e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12569e+02   -2.11983e+02   -1.12798e+02    3.56035e-06

           Step           Time
      250005000   500010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50075e+03    1.84142e+04    1.25054e+04    1.12911e+03   -2.85751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59209e+03    1.03533e+05    2.80354e+05   -1.71772e+04   -2.15219e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21320e+04   -1.73207e+06    3.46081e+05   -1.38599e+06    8.71076e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10594e+02   -2.11695e+02   -7.38739e+00    3.41459e-06

           Step           Time
      250010000   500020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50730e+03    1.80315e+04    1.23863e+04    1.05247e+03   -3.01087e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48792e+03    1.03380e+05    2.81959e+05   -1.71798e+04   -2.15727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20597e+04   -1.73659e+06    3.46732e+05   -1.38986e+06    8.71050e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11179e+02   -2.11758e+02   -1.39327e+01    3.36602e-06

           Step           Time
      250015000   500030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55826e+03    1.81926e+04    1.24736e+04    1.03138e+03   -2.84022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43331e+03    1.04038e+05    2.81900e+05   -1.72196e+04   -2.15749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20450e+04   -1.73588e+06    3.47333e+05   -1.38854e+06    8.71538e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11718e+02   -2.12739e+02    4.40184e+01    3.44296e-06

           Step           Time
      250020000   500040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43601e+03    1.84271e+04    1.24705e+04    1.09141e+03   -2.90438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55415e+03    1.03912e+05    2.80556e+05   -1.72103e+04   -2.15541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19954e+04   -1.73508e+06    3.48201e+05   -1.38688e+06    8.72239e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12497e+02   -2.12508e+02    3.18897e+01    3.45663e-06

           Step           Time
      250025000   500050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54378e+03    1.84861e+04    1.23445e+04    1.09063e+03   -2.86716e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51198e+03    1.03585e+05    2.81986e+05   -1.72454e+04   -2.15664e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22952e+04   -1.73491e+06    3.47013e+05   -1.38789e+06    8.72464e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11430e+02   -2.13377e+02    7.43356e+01    3.56686e-06

           Step           Time
      250030000   500060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47273e+03    1.80995e+04    1.22347e+04    1.05529e+03   -2.94424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53925e+03    1.03993e+05    2.80326e+05   -1.71596e+04   -2.15465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18735e+04   -1.73516e+06    3.45965e+05   -1.38920e+06    8.72409e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10491e+02   -2.11261e+02   -5.71608e+01    3.63387e-06

           Step           Time
      250035000   500070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54202e+03    1.83865e+04    1.22973e+04    1.09551e+03   -2.87998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40577e+03    1.03730e+05    2.79842e+05   -1.72162e+04   -2.15248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19893e+04   -1.73329e+06    3.46209e+05   -1.38708e+06    8.72906e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10709e+02   -2.12656e+02    4.83599e+00    3.66426e-06

           Step           Time
      250040000   500080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33001e+03    1.85297e+04    1.22616e+04    1.07466e+03   -2.91932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41937e+03    1.03680e+05    2.79330e+05   -1.71849e+04   -2.15327e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20081e+04   -1.73474e+06    3.46809e+05   -1.38793e+06    8.73364e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11247e+02   -2.11883e+02   -7.67550e+01    3.47822e-06

           Step           Time
      250045000   500090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78240e+03    1.84833e+04    1.23233e+04    1.07110e+03   -2.82083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56061e+03    1.03693e+05    2.79716e+05   -1.71173e+04   -2.15157e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20884e+04   -1.73179e+06    3.47253e+05   -1.38453e+06    8.73906e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11646e+02   -2.10221e+02   -6.57991e+01    3.41981e-06

           Step           Time
      250050000   500100.00000

Writing checkpoint, step 250050000 at Sat Dec  2 04:47:13 2023


   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65944e+03    1.83340e+04    1.23557e+04    1.11353e+03   -2.84783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51643e+03    1.04180e+05    2.80752e+05   -1.71963e+04   -2.15617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19242e+04   -1.73538e+06    3.47043e+05   -1.38833e+06    8.74085e+04
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11458e+02   -2.12164e+02    2.39637e+01    3.26367e-06


Energy conservation over simulation part #2 of length 59574.2 ns, time 440526 to 500100 ns
  Conserved energy drift: 2.17e-05 kJ/mol/ps per atom


	<======  ###############  ==>
	<====  A V E R A G E S  ====>
	<==  ###############  ======>

	Statistics over 29787101 steps using 297872 frames

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52503e+03    1.82385e+04    1.23687e+04    1.08016e+03   -2.87846e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49784e+03    1.04095e+05    2.80789e+05   -1.71902e+04   -2.15561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19958e+04   -1.73509e+06    3.46532e+05   -1.38855e+06    2.71820e+03
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10999e+02   -2.12014e+02    2.45048e-01    0.00000e+00

          Box-X          Box-Y          Box-Z
    1.23995e+01    1.23995e+01    8.76777e+00

   Total Virial (kJ/mol)
    1.15485e+05    4.17939e+01    2.74774e+01
    4.17234e+01    1.15542e+05    2.09855e+01
    2.73705e+01    2.08502e+01    1.15481e+05

   Pressure (bar)
   -1.98457e-01   -6.25447e-01   -1.01005e+00
   -6.23710e-01   -3.26868e-01   -8.95547e-01
   -1.00742e+00   -8.92213e-01    1.26047e+00

      T-Protein  T-non-Protein
    3.11076e+02    3.10993e+02


	M E G A - F L O P S   A C C O U N T I N G

 NB=Group-cutoff nonbonded kernels    NxN=N-by-N cluster Verlet kernels
 RF=Reaction-Field  VdW=Van der Waals  QSTab=quadratic-spline table
 W3=SPC/TIP3p  W4=TIP4p (single or pairs)
 V&F=Potential and force  V=Potential only  F=Force only

 Computing:                               M-Number         M-Flops  % Flops
-----------------------------------------------------------------------------
 Pair Search distance check         3648622.258816    32837600.329     0.0
 NxN Ewald Elec. + LJ [F]         3749185329.702912 247446231760.392    98.0
 NxN Ewald Elec. + LJ [V&F]        37870686.129344  4052163415.840     1.6
 1,4 nonbonded interactions          621388.713961    55924984.256     0.0
 Shift-X                              39326.550800      235959.305     0.0
 Bonds                               121590.946282     7173865.831     0.0
 Propers                             533427.404708   122154875.678     0.0
 Impropers                            37799.831169     7862364.883     0.0
 Virial                              393398.361770     7081170.512     0.0
 Stop-CM                              39326.550800      393265.508     0.0
 Calc-Ekin                           786528.639550    21236273.268     0.0
 Lincs                               116110.119698     6966607.182     0.0
 Lincs-Mat                           597290.949252     2389163.797     0.0
 Constraint-V                       3930169.680142    35371527.121     0.0
 Constraint-Vir                      381406.071284     9153745.711     0.0
 Settle                             1232649.813582   456080431.025     0.2
 CMAP                                 15221.208611    25876054.639     0.0
 Urey-Bradley                        429738.506127    78642146.621     0.0
-----------------------------------------------------------------------------
 Total                                             252367775211.899   100.0
-----------------------------------------------------------------------------


     R E A L   C Y C L E   A N D   T I M E   A C C O U N T I N G

On 1 MPI rank, each using 20 OpenMP threads

 Computing:          Num   Num      Call    Wall time         Giga-Cycles
                     Ranks Threads  Count      (s)         total sum    %
-----------------------------------------------------------------------------
 Neighbor search        1   20     297872    1083.767      78239.070   2.8
 Launch GPU ops.        1   20   29787101    1279.910      92399.008   3.3
 Force                  1   20   29787101    3290.060     237515.256   8.6
 Wait PME GPU gather    1   20   29787101    6010.760     433927.436  15.7
 Reduce GPU PME F       1   20   29787101    2568.363     185414.710   6.7
 Wait GPU NB local                           6157.294     444506.029  16.1
 NB X/F buffer ops.     1   20   59276330    5810.386     419462.110  15.2
 Write traj.            1   20       5999      51.262       3700.712   0.1
 Update                 1   20   29787101    1968.736     142126.567   5.1
 Constraints            1   20   29787101    2229.309     160937.802   5.8
 Rest                                        7896.523     570064.021  20.6
-----------------------------------------------------------------------------
 Total                                      38346.371    2768292.721 100.0
-----------------------------------------------------------------------------

               Core t (s)   Wall t (s)        (%)
       Time:   766927.427    38346.371     2000.0
                         10h39:06
                 (ns/day)    (hour/ns)
Performance:      134.229        0.179
Finished mdrun on rank 0 Sat Dec  2 04:47:13 2023

